2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide

C14H14F3N3OS — CID 119801851

IUPAC2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC(Cc2ccccc2)C(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)11(6-9-4-2-1-3-5-9)20-13(21)10-8-22-12(7-18)19-10/h1-5,8,11H,6-7,18H2,(H,20,21)
InChIKeyCCMKGWWAJVMXTM-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.51
Rot. Bonds5

About 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119801851) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID119801851
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC(Cc2ccccc2)C(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)11(6-9-4-2-1-3-5-9)20-13(21)10-8-22-12(7-18)19-10/h1-5,8,11H,6-7,18H2,(H,20,21)
InChIKeyCCMKGWWAJVMXTM-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 104901991
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 66378440
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
ethyl 2-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-phenylpropanoate;hydrochloride
CID 119755403
4-amino-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-oxobutanoic acid
CID 66375926
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
2-(aminomethyl)-N-(2-ethyl-1-phenylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119724628
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81375210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 119801851) is 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC(Cc2ccccc2)C(F)(F)F)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CCMKGWWAJVMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)11(6-9-4-2-1-3-5-9)20-13(21)10-8-22-12(7-18)19-10/h1-5,8,11H,6-7,18H2,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119801851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).