N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C15H10N2O2S2 — CID 7473462

IUPACN-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C15H10N2O2S2/c18-14(17-15-16-5-6-20-15)12-7-9-8-19-11-4-2-1-3-10(11)13(9)21-12/h1-7H,8H2,(H,16,17,18)
InChIKeyIRSUQHBROIUIKK-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.02
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 7473462) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID7473462
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC NameN-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C15H10N2O2S2/c18-14(17-15-16-5-6-20-15)12-7-9-8-19-11-4-2-1-3-10(11)13(9)21-12/h1-7H,8H2,(H,16,17,18)
InChIKeyIRSUQHBROIUIKK-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 7473462) is N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(Nc1nccs1)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is IRSUQHBROIUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c18-14(17-15-16-5-6-20-15)12-7-9-8-19-11-4-2-1-3-10(11)13(9)21-12/h1-7H,8H2,(H,16,17,18).
What are the key properties of N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 7473462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).