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

C14H15N3O2S — CID 164640871

IUPAC(3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide
SMILESO=C(Nc1csc(-c2ccncc2)n1)[C@H]1CCCOC1
InChIInChI=1S/C14H15N3O2S/c18-13(11-2-1-7-19-8-11)16-12-9-20-14(17-12)10-3-5-15-6-4-10/h3-6,9,11H,1-2,7-8H2,(H,16,18)/t11-/m0/s1
InChIKeyCADNNDQFGBUMHD-NSHDSACASA-N
MW289.36 g/mol
LogP2.57
Rot. Bonds3

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

(3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide (PubChem CID 164640871) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide
PubChem CID164640871
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide
SMILESO=C(Nc1csc(-c2ccncc2)n1)[C@H]1CCCOC1
InChIInChI=1S/C14H15N3O2S/c18-13(11-2-1-7-19-8-11)16-12-9-20-14(17-12)10-3-5-15-6-4-10/h3-6,9,11H,1-2,7-8H2,(H,16,18)/t11-/m0/s1
InChIKeyCADNNDQFGBUMHD-NSHDSACASA-N
XLogP2.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide?
The IUPAC name of (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide (CID 164640871) is (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide?
The canonical SMILES for (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide is O=C(Nc1csc(-c2ccncc2)n1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide?
The InChIKey is CADNNDQFGBUMHD-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(11-2-1-7-19-8-11)16-12-9-20-14(17-12)10-3-5-15-6-4-10/h3-6,9,11H,1-2,7-8H2,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide?
(3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxane-3-carboxamide is sourced from PubChem (CID 164640871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).