2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide

C16H19N3O3S2 — CID 91796712

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
SMILESCc1csc(SCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)n1
InChIInChI=1S/C16H19N3O3S2/c1-11-9-23-16(18-11)24-10-14(20)19-12-5-7-21-8-13(12)22-15-4-2-3-6-17-15/h2-4,6,9,12-13H,5,7-8,10H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyQJKBKHLZYPVEQH-CHWSQXEVSA-N
MW365.48 g/mol
LogP2.29
Rot. Bonds6

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide (PubChem CID 91796712) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
PubChem CID91796712
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
SMILESCc1csc(SCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)n1
InChIInChI=1S/C16H19N3O3S2/c1-11-9-23-16(18-11)24-10-14(20)19-12-5-7-21-8-13(12)22-15-4-2-3-6-17-15/h2-4,6,9,12-13H,5,7-8,10H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyQJKBKHLZYPVEQH-CHWSQXEVSA-N
XLogP2.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
2-[methyl(pyridin-4-ylmethyl)amino]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91791415
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91783421
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
1-(pyrazol-1-ylmethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91770277
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide (CID 91796712) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide is Cc1csc(SCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide?
The InChIKey is QJKBKHLZYPVEQH-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11-9-23-16(18-11)24-10-14(20)19-12-5-7-21-8-13(12)22-15-4-2-3-6-17-15/h2-4,6,9,12-13H,5,7-8,10H2,1H3,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide is sourced from PubChem (CID 91796712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).