2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide

C18H15N3O3S2 — CID 137382388

IUPAC2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide
SMILESCC(c1ccccc1)n1c(=O)oc2cc(S(=O)Nc3nccs3)ccc21
InChIInChI=1S/C18H15N3O3S2/c1-12(13-5-3-2-4-6-13)21-15-8-7-14(11-16(15)24-18(21)22)26(23)20-17-19-9-10-25-17/h2-12H,1H3,(H,19,20)
InChIKeyWTLPPFISSOVYSM-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.80
Rot. Bonds5

About 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide

2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide (PubChem CID 137382388) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide.

Molecular Properties

Compound Name2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide
PubChem CID137382388
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Name2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide
SMILESCC(c1ccccc1)n1c(=O)oc2cc(S(=O)Nc3nccs3)ccc21
InChIInChI=1S/C18H15N3O3S2/c1-12(13-5-3-2-4-6-13)21-15-8-7-14(11-16(15)24-18(21)22)26(23)20-17-19-9-10-25-17/h2-12H,1H3,(H,19,20)
InChIKeyWTLPPFISSOVYSM-UHFFFAOYSA-N
XLogP3.80
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide?
The IUPAC name of 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide (CID 137382388) is 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide.
What is the SMILES notation for 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide?
The canonical SMILES for 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide is CC(c1ccccc1)n1c(=O)oc2cc(S(=O)Nc3nccs3)ccc21.
What is the InChIKey of 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide?
The InChIKey is WTLPPFISSOVYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c1-12(13-5-3-2-4-6-13)21-15-8-7-14(11-16(15)24-18(21)22)26(23)20-17-19-9-10-25-17/h2-12H,1H3,(H,19,20).
What are the key properties of 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide?
2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide has a molecular weight of 385.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(1-phenylethyl)-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfinamide is sourced from PubChem (CID 137382388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).