N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide

C12H8N2OS3 — CID 71690073

IUPACN-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2cccs2)cs1
InChIInChI=1S/C12H8N2OS3/c15-11(14-12-13-3-5-17-12)10-6-8(7-18-10)9-2-1-4-16-9/h1-7H,(H,13,14,15)
InChIKeyKPVTXKOUSCHSMI-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.19
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide

N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 71690073) has the molecular formula C12H8N2OS3 and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide
PubChem CID71690073
Molecular FormulaC12H8N2OS3
Molecular Weight292.41 g/mol
Exact Mass291.98
IUPAC NameN-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2cccs2)cs1
InChIInChI=1S/C12H8N2OS3/c15-11(14-12-13-3-5-17-12)10-6-8(7-18-10)9-2-1-4-16-9/h1-7H,(H,13,14,15)
InChIKeyKPVTXKOUSCHSMI-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.19
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)-4-thiophen-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide (CID 71690073) is N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide is O=C(Nc1nccs1)c1cc(-c2cccs2)cs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide?
The InChIKey is KPVTXKOUSCHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS3/c15-11(14-12-13-3-5-17-12)10-6-8(7-18-10)9-2-1-4-16-9/h1-7H,(H,13,14,15).
What are the key properties of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide?
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 4.19, 3 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)-4-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71690073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).