(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C11H8ClN3O2S2 — CID 94191506

IUPAC(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C11H8ClN3O2S2/c12-9-2-1-8(19-9)6-5-7(17-15-6)10(16)14-11-13-3-4-18-11/h1-4,7H,5H2,(H,13,14,16)/t7-/m0/s1
InChIKeyVTPJVHMZEDESHB-ZETCQYMHSA-N
MW313.79 g/mol
LogP2.99
Rot. Bonds3

About (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 94191506) has the molecular formula C11H8ClN3O2S2 and a molecular weight of 313.79 g/mol. Its IUPAC name is (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID94191506
Molecular FormulaC11H8ClN3O2S2
Molecular Weight313.79 g/mol
Exact Mass312.97
IUPAC Name(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C11H8ClN3O2S2/c12-9-2-1-8(19-9)6-5-7(17-15-6)10(16)14-11-13-3-4-18-11/h1-4,7H,5H2,(H,13,14,16)/t7-/m0/s1
InChIKeyVTPJVHMZEDESHB-ZETCQYMHSA-N
XLogP2.99
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 94191506) is (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1nccs1)[C@@H]1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VTPJVHMZEDESHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H8ClN3O2S2/c12-9-2-1-8(19-9)6-5-7(17-15-6)10(16)14-11-13-3-4-18-11/h1-4,7H,5H2,(H,13,14,16)/t7-/m0/s1.
What are the key properties of (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94191506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).