methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate

C18H19N3O3S2 — CID 43980386

IUPACmethyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
SMILESCOC(=O)Cn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(C)c(C)cc21
InChIInChI=1S/C18H19N3O3S2/c1-9-6-13-14(7-10(9)2)26-18(21(13)8-15(22)24-5)20-17(23)16-11(3)19-12(4)25-16/h6-7H,8H2,1-5H3/b20-18-
InChIKeyQMFCKQKNPDTEDR-ZZEZOPTASA-N
MW389.50 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate

methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate (PubChem CID 43980386) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
PubChem CID43980386
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Namemethyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
SMILESCOC(=O)Cn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(C)c(C)cc21
InChIInChI=1S/C18H19N3O3S2/c1-9-6-13-14(7-10(9)2)26-18(21(13)8-15(22)24-5)20-17(23)16-11(3)19-12(4)25-16/h6-7H,8H2,1-5H3/b20-18-
InChIKeyQMFCKQKNPDTEDR-ZZEZOPTASA-N
XLogP3.31
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate 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

methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 43941039
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43980442
methyl 2-[2-(4-chlorobenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102297
ethyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43941120
methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41106837
methyl 2-[5,6-dimethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7525007
methyl 2-[2-[2-(4-fluorophenyl)acetyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40697914
methyl 2-[5,6-dimethyl-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40697712
methyl 2-[2-(4-fluorophenyl)sulfonylimino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40892299
methyl 2-[2-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43979993
methyl 2-[2-[4-(benzenesulfonamido)benzoyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41004589
methyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate?
The IUPAC name of methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate (CID 43980386) is methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate?
The canonical SMILES for methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate is COC(=O)Cn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(C)c(C)cc21.
What is the InChIKey of methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate?
The InChIKey is QMFCKQKNPDTEDR-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-9-6-13-14(7-10(9)2)26-18(21(13)8-15(22)24-5)20-17(23)16-11(3)19-12(4)25-16/h6-7H,8H2,1-5H3/b20-18-.
What are the key properties of methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate?
methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate has a molecular weight of 389.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate is sourced from PubChem (CID 43980386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).