2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide

C15H17N3O3S2 — CID 91772566

IUPAC2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cs1
InChIInChI=1S/C15H17N3O3S2/c1-22-15-18-11(9-23-15)14(19)17-10-5-7-20-8-12(10)21-13-4-2-3-6-16-13/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,17,19)/t10-,12-/m1/s1
InChIKeyUWEGGLWFOVNEKM-ZYHUDNBSSA-N
MW351.45 g/mol
LogP2.23
Rot. Bonds5

About 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide

2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 91772566) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID91772566
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cs1
InChIInChI=1S/C15H17N3O3S2/c1-22-15-18-11(9-23-15)14(19)17-10-5-7-20-8-12(10)21-13-4-2-3-6-16-13/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,17,19)/t10-,12-/m1/s1
InChIKeyUWEGGLWFOVNEKM-ZYHUDNBSSA-N
XLogP2.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91796712
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 91796727
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91771955
5-cyclohexyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91796853
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide (CID 91772566) is 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UWEGGLWFOVNEKM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-22-15-18-11(9-23-15)14(19)17-10-5-7-20-8-12(10)21-13-4-2-3-6-16-13/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,17,19)/t10-,12-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide?
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91772566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).