chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

C21H31Cl2N3OS — CID 143281717

IUPACchloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(C)=O)C1.CCl.Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H8ClNS.C10H20N2O.CH3Cl/c1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-4-11(5-2)10-6-7-12(8-10)9(3)13;1-2/h2-6H,1H3;10H,4-8H2,1-3H3;1H3
InChIKeyCXKARSVCHWNGTQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP5.58
Rot. Bonds4

About chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 143281717) has the molecular formula C21H31Cl2N3OS and a molecular weight of 444.47 g/mol. Its IUPAC name is chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Namechloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
PubChem CID143281717
Molecular FormulaC21H31Cl2N3OS
Molecular Weight444.47 g/mol
Exact Mass443.16
IUPAC Namechloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(C)=O)C1.CCl.Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H8ClNS.C10H20N2O.CH3Cl/c1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-4-11(5-2)10-6-7-12(8-10)9(3)13;1-2/h2-6H,1H3;10H,4-8H2,1-3H3;1H3
InChIKeyCXKARSVCHWNGTQ-UHFFFAOYSA-N
XLogP5.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone 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

[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42596719
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119411051
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120816321
1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110100464
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (CID 143281717) is chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is CCN(CC)C1CCN(C(C)=O)C1.CCl.Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is CXKARSVCHWNGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS.C10H20N2O.CH3Cl/c1-7-6-13-10(12-7)8-4-2-3-5-9(8)11;1-4-11(5-2)10-6-7-12(8-10)9(3)13;1-2/h2-6H,1H3;10H,4-8H2,1-3H3;1H3.
What are the key properties of chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 444.47 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143281717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).