(5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

C12H11N3O2S2 — CID 100815803

IUPAC(5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)Nc2nccs2)CC(c2cccs2)=NO1
InChIInChI=1S/C12H11N3O2S2/c1-12(10(16)14-11-13-4-6-19-11)7-8(15-17-12)9-3-2-5-18-9/h2-6H,7H2,1H3,(H,13,14,16)/t12-/m0/s1
InChIKeyYSRULULFZZAGTJ-LBPRGKRZSA-N
MW293.37 g/mol
LogP2.73
Rot. Bonds3

About (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

(5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815803) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815803
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name(5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESC[C@@]1(C(=O)Nc2nccs2)CC(c2cccs2)=NO1
InChIInChI=1S/C12H11N3O2S2/c1-12(10(16)14-11-13-4-6-19-11)7-8(15-17-12)9-3-2-5-18-9/h2-6H,7H2,1H3,(H,13,14,16)/t12-/m0/s1
InChIKeyYSRULULFZZAGTJ-LBPRGKRZSA-N
XLogP2.73
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (CID 100815803) is (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is C[C@@]1(C(=O)Nc2nccs2)CC(c2cccs2)=NO1.
What is the InChIKey of (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is YSRULULFZZAGTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-12(10(16)14-11-13-4-6-19-11)7-8(15-17-12)9-3-2-5-18-9/h2-6H,7H2,1H3,(H,13,14,16)/t12-/m0/s1.
What are the key properties of (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
(5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).