N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C16H15F3N4O2S — CID 99819242

IUPACN-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C16H15F3N4O2S/c17-16(18,19)9-23-7-1-2-11(15(23)25)22-13(24)12-8-21-14(26-12)10-3-5-20-6-4-10/h3-6,8,11H,1-2,7,9H2,(H,22,24)/t11-/m0/s1
InChIKeyIFWKAYTZEBGNLF-NSHDSACASA-N
MW384.38 g/mol
LogP2.49
Rot. Bonds4

About N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 99819242) has the molecular formula C16H15F3N4O2S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID99819242
Molecular FormulaC16H15F3N4O2S
Molecular Weight384.38 g/mol
Exact Mass384.09
IUPAC NameN-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C16H15F3N4O2S/c17-16(18,19)9-23-7-1-2-11(15(23)25)22-13(24)12-8-21-14(26-12)10-3-5-20-6-4-10/h3-6,8,11H,1-2,7,9H2,(H,22,24)/t11-/m0/s1
InChIKeyIFWKAYTZEBGNLF-NSHDSACASA-N
XLogP2.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 99819242) is N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cnc(-c2ccncc2)s1.
What is the InChIKey of N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IFWKAYTZEBGNLF-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F3N4O2S/c17-16(18,19)9-23-7-1-2-11(15(23)25)22-13(24)12-8-21-14(26-12)10-3-5-20-6-4-10/h3-6,8,11H,1-2,7,9H2,(H,22,24)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99819242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).