(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide

C13H13N3O2S — CID 122130996

IUPAC(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide
SMILESO=C(Nc1csc(-c2ccncc2)n1)[C@@H]1CCCO1
InChIInChI=1S/C13H13N3O2S/c17-12(10-2-1-7-18-10)15-11-8-19-13(16-11)9-3-5-14-6-4-9/h3-6,8,10H,1-2,7H2,(H,15,17)/t10-/m0/s1
InChIKeyHTJABFYUKDJPJW-JTQLQIEISA-N
MW275.33 g/mol
LogP2.32
Rot. Bonds3

About (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide

(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide (PubChem CID 122130996) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide
PubChem CID122130996
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide
SMILESO=C(Nc1csc(-c2ccncc2)n1)[C@@H]1CCCO1
InChIInChI=1S/C13H13N3O2S/c17-12(10-2-1-7-18-10)15-11-8-19-13(16-11)9-3-5-14-6-4-9/h3-6,8,10H,1-2,7H2,(H,15,17)/t10-/m0/s1
InChIKeyHTJABFYUKDJPJW-JTQLQIEISA-N
XLogP2.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 2971432
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 75435120
(2S)-N-thieno[3,2-c]pyridin-4-yloxolane-2-carboxamide
CID 127834130
(3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide
CID 164640871
2-[(2S)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 99819989
2-[(2R)-oxolan-2-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 99819990
2-(oxolan-2-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 119033857
4,4,4-trifluoro-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)butanamide
CID 121590943
N-(5-fluoro-2-pyridinyl)-2-((1S)-3-methyl-1-{[(2S)-tetrahydro-2-furanylcarbonyl]amino}butyl)-1,3-thiazole-4-carboxamide
CID 171911506
N-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 20275310
N-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide;hydrate
CID 20275336
(2S)-2-hydroxy-N-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]propanamide
CID 68349076

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide (CID 122130996) is (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide is O=C(Nc1csc(-c2ccncc2)n1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide?
The InChIKey is HTJABFYUKDJPJW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12(10-2-1-7-18-10)15-11-8-19-13(16-11)9-3-5-14-6-4-9/h3-6,8,10H,1-2,7H2,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide?
(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 122130996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).