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

C15H12N2OS2 — CID 2112794

IUPAC5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C15H12N2OS2/c18-14(16-9-5-6-9)12-7-8-13(19-12)15-17-10-3-1-2-4-11(10)20-15/h1-4,7-9H,5-6H2,(H,16,18)
InChIKeyCACCCLWPLQFNDX-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.92
Rot. Bonds3

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

5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 2112794) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID2112794
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C15H12N2OS2/c18-14(16-9-5-6-9)12-7-8-13(19-12)15-17-10-3-1-2-4-11(10)20-15/h1-4,7-9H,5-6H2,(H,16,18)
InChIKeyCACCCLWPLQFNDX-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 755801
N-[1-(6-Fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 86085348
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
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869
F0725-0480
CID 2880652
N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1245575
4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
CID 854758
2-((1,3-Benzothiazol-2-yl)methyl)-4,5-dihydro-1,3-thiazol-4-one
CID 135753731
5-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 775360
5-chloro-N-(2-(methylthio)benzo[d]thiazol-6-yl)thiophene-2-carboxamide
CID 959048

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide (CID 2112794) is 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide is O=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is CACCCLWPLQFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c18-14(16-9-5-6-9)12-7-8-13(19-12)15-17-10-3-1-2-4-11(10)20-15/h1-4,7-9H,5-6H2,(H,16,18).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.92, 3 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-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 2112794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).