2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide

C14H16ClN3OS — CID 120832699

IUPAC2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3OS/c1-9(16-2)7-17-13(19)12-8-20-14(18-12)10-5-3-4-6-11(10)15/h3-6,8-9,16H,7H2,1-2H3,(H,17,19)
InChIKeyXPCSPCHMVXGKJH-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide

2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120832699) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
PubChem CID120832699
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCNC(C)CNC(=O)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3OS/c1-9(16-2)7-17-13(19)12-8-20-14(18-12)10-5-3-4-6-11(10)15/h3-6,8-9,16H,7H2,1-2H3,(H,17,19)
InChIKeyXPCSPCHMVXGKJH-UHFFFAOYSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
CID 95787801
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 110929005
N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806
N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190569
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-cyclohexylpropanoic acid;3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 158188810
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide (CID 120832699) is 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide is CNC(C)CNC(=O)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XPCSPCHMVXGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9(16-2)7-17-13(19)12-8-20-14(18-12)10-5-3-4-6-11(10)15/h3-6,8-9,16H,7H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide?
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120832699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).