N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide

C14H12N2OS2 — CID 18110635

IUPACN-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3s2)s1
InChIInChI=1S/C14H12N2OS2/c1-9-6-7-12(18-9)14(17)15-8-13-16-10-4-2-3-5-11(10)19-13/h2-7H,8H2,1H3,(H,15,17)
InChIKeySOKIADBBFXUNCS-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.60
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide (PubChem CID 18110635) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
PubChem CID18110635
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3s2)s1
InChIInChI=1S/C14H12N2OS2/c1-9-6-7-12(18-9)14(17)15-8-13-16-10-4-2-3-5-11(10)19-13/h2-7H,8H2,1H3,(H,15,17)
InChIKeySOKIADBBFXUNCS-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 112765317
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 38284719
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide (CID 18110635) is N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2nc3ccccc3s2)s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide?
The InChIKey is SOKIADBBFXUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-6-7-12(18-9)14(17)15-8-13-16-10-4-2-3-5-11(10)19-13/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18110635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).