N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide

C16H17F3N2O2S — CID 97136781

IUPACN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C16H17F3N2O2S/c1-2-5-14-21-12(9-24-14)15(23)20-8-13(22)10-6-3-4-7-11(10)16(17,18)19/h3-4,6-7,9,13,22H,2,5,8H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyAPWSWHVAJWETAZ-ZDUSSCGKSA-N
MW358.39 g/mol
LogP3.58
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 97136781) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID97136781
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C16H17F3N2O2S/c1-2-5-14-21-12(9-24-14)15(23)20-8-13(22)10-6-3-4-7-11(10)16(17,18)19/h3-4,6-7,9,13,22H,2,5,8H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyAPWSWHVAJWETAZ-ZDUSSCGKSA-N
XLogP3.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 97136781) is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cs1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is APWSWHVAJWETAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-2-5-14-21-12(9-24-14)15(23)20-8-13(22)10-6-3-4-7-11(10)16(17,18)19/h3-4,6-7,9,13,22H,2,5,8H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97136781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).