2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

C16H20ClN3OS — CID 3832974

IUPAC2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCCc2cccc(Cl)c2)cs1
InChIInChI=1S/C16H20ClN3OS/c1-2-4-13(18)16-20-14(10-22-16)15(21)19-8-7-11-5-3-6-12(17)9-11/h3,5-6,9-10,13H,2,4,7-8,18H2,1H3,(H,19,21)
InChIKeySFEAYSAKEPWSHJ-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.57
Rot. Bonds7

About 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 3832974) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID3832974
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)NCCc2cccc(Cl)c2)cs1
InChIInChI=1S/C16H20ClN3OS/c1-2-4-13(18)16-20-14(10-22-16)15(21)19-8-7-11-5-3-6-12(17)9-11/h3,5-6,9-10,13H,2,4,7-8,18H2,1H3,(H,19,21)
InChIKeySFEAYSAKEPWSHJ-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 5000241
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
2-(1-aminobutyl)-N-[(3-iodophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3489528
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 91408257
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-[2-(3-chlorophenyl)ethyl]-2-[[[2-(4-iodophenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 11563067

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 3832974) is 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is CCCC(N)c1nc(C(=O)NCCc2cccc(Cl)c2)cs1.
What is the InChIKey of 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SFEAYSAKEPWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-2-4-13(18)16-20-14(10-22-16)15(21)19-8-7-11-5-3-6-12(17)9-11/h3,5-6,9-10,13H,2,4,7-8,18H2,1H3,(H,19,21).
What are the key properties of 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 337.88 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3832974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).