N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide

C13H10N2OS2 — CID 18110672

IUPACN-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C13H10N2OS2/c16-13(11-6-3-7-17-11)14-8-12-15-9-4-1-2-5-10(9)18-12/h1-7H,8H2,(H,14,16)
InChIKeyRXBBXHLVROPFKW-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.29
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 18110672) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
PubChem CID18110672
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C13H10N2OS2/c16-13(11-6-3-7-17-11)14-8-12-15-9-4-1-2-5-10(9)18-12/h1-7H,8H2,(H,14,16)
InChIKeyRXBBXHLVROPFKW-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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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 30370193
N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9393656
1,3-benzothiazol-2-ylmethyl thiophene-2-carboxylate
CID 1243333
N-[1-[3-(1,3-benzothiazol-2-yl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46432293
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977455
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 54859155
N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 47073484
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110393640

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide (CID 18110672) is N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1nc2ccccc2s1)c1cccs1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is RXBBXHLVROPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-13(11-6-3-7-17-11)14-8-12-15-9-4-1-2-5-10(9)18-12/h1-7H,8H2,(H,14,16).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-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-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18110672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).