2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 81356924

IUPAC2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-10-3-5-12(6-4-10)11(2)17-15(19)13-9-20-14(18-13)7-8-16/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyKJYDNVJHVPGUNP-NSHDSACASA-N
MW289.40 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 81356924) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID81356924
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-10-3-5-12(6-4-10)11(2)17-15(19)13-9-20-14(18-13)7-8-16/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyKJYDNVJHVPGUNP-NSHDSACASA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618402
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106388301
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622062

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 81356924) is 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccc([C@H](C)NC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KJYDNVJHVPGUNP-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-3-5-12(6-4-10)11(2)17-15(19)13-9-20-14(18-13)7-8-16/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81356924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).