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

C12H16F3N3OS — CID 62798726

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESNc1nc(CC(=O)NC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)7-2-1-3-8(4-7)17-10(19)5-9-6-20-11(16)18-9/h6-8H,1-5H2,(H2,16,18)(H,17,19)
InChIKeyADHDXQMBMKCOEU-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.51
Rot. Bonds3

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

2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 62798726) 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-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID62798726
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESNc1nc(CC(=O)NC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)7-2-1-3-8(4-7)17-10(19)5-9-6-20-11(16)18-9/h6-8H,1-5H2,(H2,16,18)(H,17,19)
InChIKeyADHDXQMBMKCOEU-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 62798726) is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is Nc1nc(CC(=O)NC2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is ADHDXQMBMKCOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)7-2-1-3-8(4-7)17-10(19)5-9-6-20-11(16)18-9/h6-8H,1-5H2,(H2,16,18)(H,17,19).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(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-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 62798726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).