N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

C13H10N2OS2 — CID 4561886

IUPACN-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2ncsc2c1
InChIInChI=1S/C13H10N2OS2/c16-13(14-7-10-2-1-5-17-10)9-3-4-11-12(6-9)18-8-15-11/h1-6,8H,7H2,(H,14,16)
InChIKeyHIJNHHWDMMDPOR-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.29
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4561886) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID4561886
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2ncsc2c1
InChIInChI=1S/C13H10N2OS2/c16-13(14-7-10-2-1-5-17-10)9-3-4-11-12(6-9)18-8-15-11/h1-6,8H,7H2,(H,14,16)
InChIKeyHIJNHHWDMMDPOR-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 4561886) is N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide is O=C(NCc1cccs1)c1ccc2ncsc2c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HIJNHHWDMMDPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-13(14-7-10-2-1-5-17-10)9-3-4-11-12(6-9)18-8-15-11/h1-6,8H,7H2,(H,14,16).
What are the key properties of N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide?
N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4561886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).