N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide

C15H13N3O2S2 — CID 46328581

IUPACN-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
SMILESCCC(=O)Nc1nc2cc(NC(=O)c3cccs3)ccc2s1
InChIInChI=1S/C15H13N3O2S2/c1-2-13(19)18-15-17-10-8-9(5-6-11(10)22-15)16-14(20)12-4-3-7-21-12/h3-8H,2H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyKYSGCJTXYCLDIQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.96
Rot. Bonds4

About N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide

N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide (PubChem CID 46328581) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
PubChem CID46328581
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
SMILESCCC(=O)Nc1nc2cc(NC(=O)c3cccs3)ccc2s1
InChIInChI=1S/C15H13N3O2S2/c1-2-13(19)18-15-17-10-8-9(5-6-11(10)22-15)16-14(20)12-4-3-7-21-12/h3-8H,2H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyKYSGCJTXYCLDIQ-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
CID 50784269
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
methyl 3-[[2-(propanoylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate
CID 46385294
N-(5-nitro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 16850445
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]propanamide
CID 50882223
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
CID 46328841
N-[[2-(thiophene-2-carbonylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide
CID 17273939
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
N-[4-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208698
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944

Frequently Asked Questions

What is the IUPAC name of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide (CID 46328581) is N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide is CCC(=O)Nc1nc2cc(NC(=O)c3cccs3)ccc2s1.
What is the InChIKey of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide?
The InChIKey is KYSGCJTXYCLDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-2-13(19)18-15-17-10-8-9(5-6-11(10)22-15)16-14(20)12-4-3-7-21-12/h3-8H,2H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide?
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46328581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).