cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C16H23F3N2OS — CID 95323956

IUPACcis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCc1nc(CCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)sc1C
InChIInChI=1S/C16H23F3N2OS/c1-3-13-10(2)23-14(21-13)7-8-20-15(22)11-5-4-6-12(9-11)16(17,18)19/h11-12H,3-9H2,1-2H3,(H,20,22)/t11-,12+/m1/s1
InChIKeyDGVJHYIWVKUJHO-NEPJUHHUSA-N
MW348.43 g/mol
LogP4.04
Rot. Bonds5

About cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 95323956) has the molecular formula C16H23F3N2OS and a molecular weight of 348.43 g/mol. Its IUPAC name is cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID95323956
Molecular FormulaC16H23F3N2OS
Molecular Weight348.43 g/mol
Exact Mass348.15
IUPAC Namecis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCc1nc(CCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)sc1C
InChIInChI=1S/C16H23F3N2OS/c1-3-13-10(2)23-14(21-13)7-8-20-15(22)11-5-4-6-12(9-11)16(17,18)19/h11-12H,3-9H2,1-2H3,(H,20,22)/t11-,12+/m1/s1
InChIKeyDGVJHYIWVKUJHO-NEPJUHHUSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 95323956) is cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCc1nc(CCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)sc1C.
What is the InChIKey of cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DGVJHYIWVKUJHO-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H23F3N2OS/c1-3-13-10(2)23-14(21-13)7-8-20-15(22)11-5-4-6-12(9-11)16(17,18)19/h11-12H,3-9H2,1-2H3,(H,20,22)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95323956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).