5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide

C15H14N2OS2 — CID 2452036

IUPAC5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C15H14N2OS2/c1-2-9-16-14(18)12-7-8-13(19-12)15-17-10-5-3-4-6-11(10)20-15/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyNLBAIDWNPBICRH-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.16
Rot. Bonds4

About 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide (PubChem CID 2452036) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide
PubChem CID2452036
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C15H14N2OS2/c1-2-9-16-14(18)12-7-8-13(19-12)15-17-10-5-3-4-6-11(10)20-15/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyNLBAIDWNPBICRH-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 755801
N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]acetamide
CID 2809628
N-[1-(6-Fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 86085348
N-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
CID 843289
5-Ethyl-6-methyl-3-((2-benzothiazolyl)ethyl)-2-pyridinone
CID 453438
(S)-2-amino-N-((S)-2-(benzo[d]thiazol-2-yl)-1-cyanoethyl)-3-(thiophen-2-yl)propanamide
CID 46883430
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-N-methylbenzamide
CID 8085236
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869
1-[(1,3-Benzothiazol-2-ylthio)methyl]-2-azepanone
CID 659684

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide (CID 2452036) is 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide?
The InChIKey is NLBAIDWNPBICRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-2-9-16-14(18)12-7-8-13(19-12)15-17-10-5-3-4-6-11(10)20-15/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 2452036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).