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

C19H16N4O2S — CID 50784269

IUPACN-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
SMILESCCC(=O)Nc1nc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2s1
InChIInChI=1S/C19H16N4O2S/c1-2-17(24)23-19-22-14-10-12(7-8-16(14)26-19)20-18(25)15-9-11-5-3-4-6-13(11)21-15/h3-10,21H,2H2,1H3,(H,20,25)(H,22,23,24)
InChIKeyZXQBYZTYCRVBAH-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.38
Rot. Bonds4

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

N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide (PubChem CID 50784269) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
PubChem CID50784269
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
SMILESCCC(=O)Nc1nc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2s1
InChIInChI=1S/C19H16N4O2S/c1-2-17(24)23-19-22-14-10-12(7-8-16(14)26-19)20-18(25)15-9-11-5-3-4-6-13(11)21-15/h3-10,21H,2H2,1H3,(H,20,25)(H,22,23,24)
InChIKeyZXQBYZTYCRVBAH-UHFFFAOYSA-N
XLogP4.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
CID 46328581
N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
CID 46328841
methyl 3-[[2-(propanoylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate
CID 46385294
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]propanamide
CID 50882223
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]benzamide
CID 95733400
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
CID 46290900
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
CID 26312296
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641

Frequently Asked Questions

What is the IUPAC name of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide (CID 50784269) is N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide is CCC(=O)Nc1nc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2s1.
What is the InChIKey of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is ZXQBYZTYCRVBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-17(24)23-19-22-14-10-12(7-8-16(14)26-19)20-18(25)15-9-11-5-3-4-6-13(11)21-15/h3-10,21H,2H2,1H3,(H,20,25)(H,22,23,24).
What are the key properties of N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide?
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 50784269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).