2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C14H17N3OS — CID 81375210

IUPAC2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1csc(CN)n1
InChIInChI=1S/C14H17N3OS/c1-9-5-3-4-6-11(9)10(2)16-14(18)12-8-19-13(7-15)17-12/h3-6,8,10H,7,15H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyBJSJOXDWRFDCIF-SNVBAGLBSA-N
MW275.38 g/mol
LogP2.40
Rot. Bonds4

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

2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 81375210) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID81375210
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1csc(CN)n1
InChIInChI=1S/C14H17N3OS/c1-9-5-3-4-6-11(9)10(2)16-14(18)12-8-19-13(7-15)17-12/h3-6,8,10H,7,15H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyBJSJOXDWRFDCIF-SNVBAGLBSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
ethyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoate
CID 119818340
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
N-[1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 43013699
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(aminomethyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671516
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 81375210) is 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccccc1[C@@H](C)NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BJSJOXDWRFDCIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-5-3-4-6-11(9)10(2)16-14(18)12-8-19-13(7-15)17-12/h3-6,8,10H,7,15H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81375210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).