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

C14H16ClN3OS — CID 81371818

IUPAC2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(CCN)n1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3OS/c1-9(10-3-2-4-11(15)7-10)17-14(19)12-8-20-13(18-12)5-6-16/h2-4,7-9H,5-6,16H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyHJVQSJYIURDATJ-VIFPVBQESA-N
MW309.82 g/mol
LogP2.79
Rot. Bonds5

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

2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 81371818) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID81371818
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(CCN)n1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3OS/c1-9(10-3-2-4-11(15)7-10)17-14(19)12-8-20-13(18-12)5-6-16/h2-4,7-9H,5-6,16H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyHJVQSJYIURDATJ-VIFPVBQESA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
N-[1-(3-chlorophenyl)ethyl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 171401030
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 81371818) is 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1csc(CCN)n1)c1cccc(Cl)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HJVQSJYIURDATJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9(10-3-2-4-11(15)7-10)17-14(19)12-8-20-13(18-12)5-6-16/h2-4,7-9H,5-6,16H2,1H3,(H,17,19)/t9-/m0/s1.
What are the key properties of 2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 2.79, 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-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81371818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).