N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide

C15H14N2OS2 — CID 8892653

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3sccc3C)sc2c1
InChIInChI=1S/C15H14N2OS2/c1-8-6-10(3)12-11(7-8)20-15(16-12)17-14(18)13-9(2)4-5-19-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyGSHQRYRMPNCEPF-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.54
Rot. Bonds2

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 8892653) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID8892653
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3sccc3C)sc2c1
InChIInChI=1S/C15H14N2OS2/c1-8-6-10(3)12-11(7-8)20-15(16-12)17-14(18)13-9(2)4-5-19-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyGSHQRYRMPNCEPF-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide (CID 8892653) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide is Cc1cc(C)c2nc(NC(=O)c3sccc3C)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is GSHQRYRMPNCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-8-6-10(3)12-11(7-8)20-15(16-12)17-14(18)13-9(2)4-5-19-13/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 8892653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).