5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C58H68Cl2F3N13O10S5 — CID 161238541

IUPAC5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCCCOc1ncc(-c2ccc(=O)n(Cc3cnc(CC)s3)n2)cn1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(CC)s1.CCc1ncc(CCl)s1.CCc1ncc(CO)s1.CCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1
InChIInChI=1S/C17H19N5O2S.C16H14F3N5O2S.C8H11NO2S.C6H8ClNS.C6H9NOS.C5H7ClO3/c1-3-7-24-17-19-8-12(9-20-17)14-5-6-16(23)22(21-14)11-13-10-18-15(4-2)25-13;1-2-13-20-7-11(27-13)8-24-14(25)4-3-12(23-24)10-5-21-15(22-6-10)26-9-16(17,18)19;1-3-7-9-5-6(12-7)8(10)11-4-2;1-2-6-8-4-5(3-7)9-6;1-2-6-7-3-5(4-8)9-6;1-2-9-5(8)4(6)3-7/h5-6,8-10H,3-4,7,11H2,1-2H3;3-7H,2,8-9H2,1H3;5H,3-4H2,1-2H3;4H,2-3H2,1H3;3,8H,2,4H2,1H3;3-4H,2H2,1H3
InChIKeyUZRQVADHENZXAP-UHFFFAOYSA-N
MW1395.50 g/mol
LogP11.15
Rot. Bonds23

About 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 161238541) has the molecular formula C58H68Cl2F3N13O10S5 and a molecular weight of 1395.50 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
PubChem CID161238541
Molecular FormulaC58H68Cl2F3N13O10S5
Molecular Weight1395.50 g/mol
Exact Mass1393.31
IUPAC Name5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCCCOc1ncc(-c2ccc(=O)n(Cc3cnc(CC)s3)n2)cn1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(CC)s1.CCc1ncc(CCl)s1.CCc1ncc(CO)s1.CCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1
InChIInChI=1S/C17H19N5O2S.C16H14F3N5O2S.C8H11NO2S.C6H8ClNS.C6H9NOS.C5H7ClO3/c1-3-7-24-17-19-8-12(9-20-17)14-5-6-16(23)22(21-14)11-13-10-18-15(4-2)25-13;1-2-13-20-7-11(27-13)8-24-14(25)4-3-12(23-24)10-5-21-15(22-6-10)26-9-16(17,18)19;1-3-7-9-5-6(12-7)8(10)11-4-2;1-2-6-8-4-5(3-7)9-6;1-2-6-7-3-5(4-8)9-6;1-2-9-5(8)4(6)3-7/h5-6,8-10H,3-4,7,11H2,1-2H3;3-7H,2,8-9H2,1H3;5H,3-4H2,1-2H3;4H,2-3H2,1H3;3,8H,2,4H2,1H3;3-4H,2H2,1H3
InChIKeyUZRQVADHENZXAP-UHFFFAOYSA-N
XLogP11.15
TPSA294.15 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.50
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158844804
2-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]-6-[2-(2-fluoro-2-phosphanylpropoxy)pyrimidin-5-yl]pyridazin-3-one
CID 170284215
2-[(Z)-3-methylpent-2-enyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 174112849
6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
CID 170283985
lithium;2-aminoacetamide;benzyl carbonochloridate;ethyl 2-chloroacetate;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;ethyl formate;2-ethyl-1,3-thiazole-5-carboxylic acid;propanamide;propanethioamide;hydroxide
CID 158590552
6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
CID 168893332
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
CID 71425005
6-[2-(2,2-difluoropropoxy)pyrimidin-5-yl]-2-[[3-(methylsulfanylmethyl)-1,2-oxazol-5-yl]methyl]pyridazin-3-one
CID 170283966
ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
CID 154690926
2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158268340

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 161238541) is 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CCCOc1ncc(-c2ccc(=O)n(Cc3cnc(CC)s3)n2)cn1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc(CC)s1.CCc1ncc(CCl)s1.CCc1ncc(CO)s1.CCc1ncc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)s1.
What is the InChIKey of 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is UZRQVADHENZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S.C16H14F3N5O2S.C8H11NO2S.C6H8ClNS.C6H9NOS.C5H7ClO3/c1-3-7-24-17-19-8-12(9-20-17)14-5-6-16(23)22(21-14)11-13-10-18-15(4-2)25-13;1-2-13-20-7-11(27-13)8-24-14(25)4-3-12(23-24)10-5-21-15(22-6-10)26-9-16(17,18)19;1-3-7-9-5-6(12-7)8(10)11-4-2;1-2-6-8-4-5(3-7)9-6;1-2-6-7-3-5(4-8)9-6;1-2-9-5(8)4(6)3-7/h5-6,8-10H,3-4,7,11H2,1-2H3;3-7H,2,8-9H2,1H3;5H,3-4H2,1-2H3;4H,2-3H2,1H3;3,8H,2,4H2,1H3;3-4H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 1395.50 g/mol, XLogP of 11.15, 23 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethyl-1,3-thiazole;ethyl 2-chloro-3-oxopropanoate;ethyl 2-ethyl-1,3-thiazole-5-carboxylate;(2-ethyl-1,3-thiazol-5-yl)methanol;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-(2-propoxypyrimidin-5-yl)pyridazin-3-one;2-[(2-ethyl-1,3-thiazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 161238541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).