N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide

C14H9N3O2S2 — CID 18587269

IUPACN-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccno1
InChIInChI=1S/C14H9N3O2S2/c18-13(9-5-6-15-19-9)17-14-16-12-8-3-1-2-4-10(8)20-7-11(12)21-14/h1-6H,7H2,(H,16,17,18)
InChIKeyHAERNYDCEMBVKQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.66
Rot. Bonds2

About N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide

N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 18587269) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID18587269
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC NameN-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccno1
InChIInChI=1S/C14H9N3O2S2/c18-13(9-5-6-15-19-9)17-14-16-12-8-3-1-2-4-10(8)20-7-11(12)21-14/h1-6H,7H2,(H,16,17,18)
InChIKeyHAERNYDCEMBVKQ-UHFFFAOYSA-N
XLogP3.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 18587269) is N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide is O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccno1.
What is the InChIKey of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is HAERNYDCEMBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-13(9-5-6-15-19-9)17-14-16-12-8-3-1-2-4-10(8)20-7-11(12)21-14/h1-6H,7H2,(H,16,17,18).
What are the key properties of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide?
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).