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

C12H16F3N3OS — CID 62792561

IUPAC2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3N3OS/c1-6-9(20-11(16)17-6)10(19)18-8-5-3-2-4-7(8)12(13,14)15/h7-8H,2-5H2,1H3,(H2,16,17)(H,18,19)
InChIKeyBIKMJNCHXFKNSZ-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.88
Rot. Bonds2

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

2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 62792561) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID62792561
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3N3OS/c1-6-9(20-11(16)17-6)10(19)18-8-5-3-2-4-7(8)12(13,14)15/h7-8H,2-5H2,1H3,(H2,16,17)(H,18,19)
InChIKeyBIKMJNCHXFKNSZ-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118773357
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 104872552
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 43055913
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 80713116
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 62799959
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 52501616
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 62792561) is 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BIKMJNCHXFKNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-6-9(20-11(16)17-6)10(19)18-8-5-3-2-4-7(8)12(13,14)15/h7-8H,2-5H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).