(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone

C15H13N3O4S2 — CID 142615632

IUPAC(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cnc(NCc3ncco3)s2)c1
InChIInChI=1S/C15H13N3O4S2/c1-24(20,21)11-4-2-3-10(7-11)14(19)12-8-17-15(23-12)18-9-13-16-5-6-22-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyYLYYSEOCEXLMGO-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.38
Rot. Bonds6

About (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone

(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 142615632) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone
PubChem CID142615632
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cnc(NCc3ncco3)s2)c1
InChIInChI=1S/C15H13N3O4S2/c1-24(20,21)11-4-2-3-10(7-11)14(19)12-8-17-15(23-12)18-9-13-16-5-6-22-13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyYLYYSEOCEXLMGO-UHFFFAOYSA-N
XLogP2.38
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone (CID 142615632) is (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone is CS(=O)(=O)c1cccc(C(=O)c2cnc(NCc3ncco3)s2)c1.
What is the InChIKey of (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is YLYYSEOCEXLMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-24(20,21)11-4-2-3-10(7-11)14(19)12-8-17-15(23-12)18-9-13-16-5-6-22-13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone?
(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 142615632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).