N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

C13H10N2OS3 — CID 726754

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3cccs3)cc2s1
InChIInChI=1S/C13H10N2OS3/c1-17-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,16)
InChIKeyWRDHQYNLGUGZHU-UHFFFAOYSA-N
MW306.44 g/mol
LogP4.33
Rot. Bonds3

About N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 726754) has the molecular formula C13H10N2OS3 and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID726754
Molecular FormulaC13H10N2OS3
Molecular Weight306.44 g/mol
Exact Mass306.00
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3cccs3)cc2s1
InChIInChI=1S/C13H10N2OS3/c1-17-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,16)
InChIKeyWRDHQYNLGUGZHU-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 726754) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is CSc1nc2ccc(NC(=O)c3cccs3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is WRDHQYNLGUGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS3/c1-17-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,16).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 726754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).