N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

C14H18Cl3N3OS — CID 119584366

IUPACN-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1.Cl.Cl
InChIInChI=1S/C14H16ClN3OS.2ClH/c1-9(7-16)18(2)14(19)12-8-20-13(17-12)10-3-5-11(15)6-4-10;;/h3-6,8-9H,7,16H2,1-2H3;2*1H
InChIKeyXKYVEBBAVMMOSO-UHFFFAOYSA-N
MW382.74 g/mol
LogP3.73
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119584366) has the molecular formula C14H18Cl3N3OS and a molecular weight of 382.74 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119584366
Molecular FormulaC14H18Cl3N3OS
Molecular Weight382.74 g/mol
Exact Mass381.02
IUPAC NameN-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1.Cl.Cl
InChIInChI=1S/C14H16ClN3OS.2ClH/c1-9(7-16)18(2)14(19)12-8-20-13(17-12)10-3-5-11(15)6-4-10;;/h3-6,8-9H,7,16H2,1-2H3;2*1H
InChIKeyXKYVEBBAVMMOSO-UHFFFAOYSA-N
XLogP3.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119583997
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695137
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 95145000
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46065907
2-(4-chlorophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 24515799
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119584366) is N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(CN)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is XKYVEBBAVMMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS.2ClH/c1-9(7-16)18(2)14(19)12-8-20-13(17-12)10-3-5-11(15)6-4-10;;/h3-6,8-9H,7,16H2,1-2H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 382.74 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119584366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).