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

C14H18Cl3N3OS — CID 120827406

IUPAC2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1.Cl.Cl
InChIInChI=1S/C14H16ClN3OS.2ClH/c1-9(16-2)7-17-13(19)12-8-20-14(18-12)10-3-5-11(15)6-4-10;;/h3-6,8-9,16H,7H2,1-2H3,(H,17,19);2*1H
InChIKeyUWULNOUYWDUNSG-UHFFFAOYSA-N
MW382.74 g/mol
LogP3.64
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120827406) has the molecular formula C14H18Cl3N3OS and a molecular weight of 382.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120827406
Molecular FormulaC14H18Cl3N3OS
Molecular Weight382.74 g/mol
Exact Mass381.02
IUPAC Name2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1.Cl.Cl
InChIInChI=1S/C14H16ClN3OS.2ClH/c1-9(16-2)7-17-13(19)12-8-20-14(18-12)10-3-5-11(15)6-4-10;;/h3-6,8-9,16H,7H2,1-2H3,(H,17,19);2*1H
InChIKeyUWULNOUYWDUNSG-UHFFFAOYSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.74
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride 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-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
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
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 119508471
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120650279
N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
N-(2-fluoro-3-hydroxypropyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155969715
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120827406) is 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1.Cl.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UWULNOUYWDUNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS.2ClH/c1-9(16-2)7-17-13(19)12-8-20-14(18-12)10-3-5-11(15)6-4-10;;/h3-6,8-9,16H,7H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 382.74 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120827406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).