2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide

C15H19ClN4OS — CID 122182342

IUPAC2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN4OS/c1-20(2)9-3-8-17-14(21)13-10-22-15(19-13)18-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeySBAIMWOKOKGMKK-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.22
Rot. Bonds7

About 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide

2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 122182342) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
PubChem CID122182342
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN4OS/c1-20(2)9-3-8-17-14(21)13-10-22-15(19-13)18-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeySBAIMWOKOKGMKK-UHFFFAOYSA-N
XLogP3.22
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
2-(4-chloroanilino)-N-[5-[(3-chlorophenyl)methylamino]pentyl]-1,3-thiazole-4-carboxamide
CID 86574827
2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
CID 46113972
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372046

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide (CID 122182342) is 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide is CN(C)CCCNC(=O)c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SBAIMWOKOKGMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-20(2)9-3-8-17-14(21)13-10-22-15(19-13)18-12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide?
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 338.86 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122182342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).