N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide

C14H12N2OS2 — CID 8571563

IUPACN-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c17-13(8-7-10-4-3-9-18-10)16-14-15-11-5-1-2-6-12(11)19-14/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyXEVFFPDDHLQBHM-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.93
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide

N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 8571563) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID8571563
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c17-13(8-7-10-4-3-9-18-10)16-14-15-11-5-1-2-6-12(11)19-14/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyXEVFFPDDHLQBHM-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2381090
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-[4-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208698
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8571614
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide (CID 8571563) is N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is XEVFFPDDHLQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c17-13(8-7-10-4-3-9-18-10)16-14-15-11-5-1-2-6-12(11)19-14/h1-6,9H,7-8H2,(H,15,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 288.40 g/mol, XLogP of 3.93, 4 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-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 8571563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).