N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C14H17Cl2N3OS — CID 119496538

IUPACN-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1csc(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C14H16ClN3OS.ClH/c1-9(16)6-7-17-13(19)12-8-20-14(18-12)10-4-2-3-5-11(10)15;/h2-5,8-9H,6-7,16H2,1H3,(H,17,19);1H
InChIKeySDKXDYHTQLUSER-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.35
Rot. Bonds5

About N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119496538) has the molecular formula C14H17Cl2N3OS and a molecular weight of 346.28 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119496538
Molecular FormulaC14H17Cl2N3OS
Molecular Weight346.28 g/mol
Exact Mass345.05
IUPAC NameN-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1csc(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C14H16ClN3OS.ClH/c1-9(16)6-7-17-13(19)12-8-20-14(18-12)10-4-2-3-5-11(10)15;/h2-5,8-9H,6-7,16H2,1H3,(H,17,19);1H
InChIKeySDKXDYHTQLUSER-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
CID 95787801
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-(3-aminobutyl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119499639
2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 110929005
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
CID 119498507
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190569
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119496538) is N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(N)CCNC(=O)c1csc(-c2ccccc2Cl)n1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is SDKXDYHTQLUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS.ClH/c1-9(16)6-7-17-13(19)12-8-20-14(18-12)10-4-2-3-5-11(10)15;/h2-5,8-9H,6-7,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 346.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119496538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).