N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C12H12N2OS2 — CID 645083

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cccs1
InChIInChI=1S/C12H12N2OS2/c15-11(10-6-3-7-16-10)14-12-13-8-4-1-2-5-9(8)17-12/h3,6-7H,1-2,4-5H2,(H,13,14,15)
InChIKeyJNFWHHDYBSBYJJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.34
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 645083) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID645083
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cccs1
InChIInChI=1S/C12H12N2OS2/c15-11(10-6-3-7-16-10)14-12-13-8-4-1-2-5-9(8)17-12/h3,6-7H,1-2,4-5H2,(H,13,14,15)
InChIKeyJNFWHHDYBSBYJJ-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2307157
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 786375
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1246066
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2458204
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide
CID 2945978
N-(1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 718180

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 645083) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cccs1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is JNFWHHDYBSBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-11(10-6-3-7-16-10)14-12-13-8-4-1-2-5-9(8)17-12/h3,6-7H,1-2,4-5H2,(H,13,14,15).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 645083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).