N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide

C13H10N2OS3 — CID 2738823

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)c1ccsc1
InChIInChI=1S/C13H10N2OS3/c16-12(9-3-5-17-7-9)14-6-10-8-19-13(15-10)11-2-1-4-18-11/h1-5,7-8H,6H2,(H,14,16)
InChIKeyKWOHAQSPSUIJAT-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.86
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 2738823) has the molecular formula C13H10N2OS3 and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID2738823
Molecular FormulaC13H10N2OS3
Molecular Weight306.44 g/mol
Exact Mass306.00
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)c1ccsc1
InChIInChI=1S/C13H10N2OS3/c16-12(9-3-5-17-7-9)14-6-10-8-19-13(15-10)11-2-1-4-18-11/h1-5,7-8H,6H2,(H,14,16)
InChIKeyKWOHAQSPSUIJAT-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide (CID 2738823) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide is O=C(NCc1csc(-c2cccs2)n1)c1ccsc1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is KWOHAQSPSUIJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS3/c16-12(9-3-5-17-7-9)14-6-10-8-19-13(15-10)11-2-1-4-18-11/h1-5,7-8H,6H2,(H,14,16).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 2738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).