N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C14H14F3N3O2S — CID 96535013

IUPACN-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)c2ncccc2OCC(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3O2S/c1-8(10-6-23-9(2)20-10)19-13(21)12-11(4-3-5-18-12)22-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,19,21)/t8-/m1/s1
InChIKeySKCREACZQGPNRT-MRVPVSSYSA-N
MW345.35 g/mol
LogP3.28
Rot. Bonds5

About N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 96535013) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID96535013
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)c2ncccc2OCC(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3O2S/c1-8(10-6-23-9(2)20-10)19-13(21)12-11(4-3-5-18-12)22-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,19,21)/t8-/m1/s1
InChIKeySKCREACZQGPNRT-MRVPVSSYSA-N
XLogP3.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 96535013) is N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1nc([C@@H](C)NC(=O)c2ncccc2OCC(F)(F)F)cs1.
What is the InChIKey of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is SKCREACZQGPNRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-8(10-6-23-9(2)20-10)19-13(21)12-11(4-3-5-18-12)22-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,19,21)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 96535013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).