2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C13H14FN3OS — CID 91971342

IUPAC2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1CNC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H14FN3OS/c1-7-5-10(14)4-3-9(7)6-16-12(18)11-8(2)17-13(15)19-11/h3-5H,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUNUIPTRPRYXISV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91971342) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91971342
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1CNC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H14FN3OS/c1-7-5-10(14)4-3-9(7)6-16-12(18)11-8(2)17-13(15)19-11/h3-5H,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUNUIPTRPRYXISV-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 89009802
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
tert-butyl N-[5-[(2-chloro-4-fluorophenyl)methylcarbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 89009805
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
CID 107641671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 91971342) is 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(F)ccc1CNC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UNUIPTRPRYXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-7-5-10(14)4-3-9(7)6-16-12(18)11-8(2)17-13(15)19-11/h3-5H,6H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91971342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).