2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C12H16F3N3OS — CID 62799959

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESNc1nc(CC(=O)NC2CCCCC2C(F)(F)F)cs1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)8-3-1-2-4-9(8)18-10(19)5-7-6-20-11(16)17-7/h6,8-9H,1-5H2,(H2,16,17)(H,18,19)
InChIKeyCTYZNOBGIDJKRQ-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 62799959) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID62799959
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESNc1nc(CC(=O)NC2CCCCC2C(F)(F)F)cs1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)8-3-1-2-4-9(8)18-10(19)5-7-6-20-11(16)17-7/h6,8-9H,1-5H2,(H2,16,17)(H,18,19)
InChIKeyCTYZNOBGIDJKRQ-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 106361462
2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228
2-(2-amino-1,3-thiazol-4-yl)-N-(2-cyclopentyloxyethyl)acetamide
CID 63827928
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129
2-(2-amino-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62800166

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 62799959) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide is Nc1nc(CC(=O)NC2CCCCC2C(F)(F)F)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is CTYZNOBGIDJKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)8-3-1-2-4-9(8)18-10(19)5-7-6-20-11(16)17-7/h6,8-9H,1-5H2,(H2,16,17)(H,18,19).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 307.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 62799959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).