3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

C18H16N4OS2 — CID 34035103

IUPAC3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
SMILESCSc1nc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2s1
InChIInChI=1S/C18H16N4OS2/c1-24-18-22-14-7-6-11(10-15(14)25-18)19-17(23)9-8-16-20-12-4-2-3-5-13(12)21-16/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyLFMHYKHWDNMPQP-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.47
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 34035103) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID34035103
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
SMILESCSc1nc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2s1
InChIInChI=1S/C18H16N4OS2/c1-24-18-22-14-7-6-11(10-15(14)25-18)19-17(23)9-8-16-20-12-4-2-3-5-13(12)21-16/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyLFMHYKHWDNMPQP-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 20930895
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenoxypropanamide
CID 4781570
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
ethyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate
CID 26850848
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide
CID 26850847

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide (CID 34035103) is 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide is CSc1nc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2s1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is LFMHYKHWDNMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-24-18-22-14-7-6-11(10-15(14)25-18)19-17(23)9-8-16-20-12-4-2-3-5-13(12)21-16/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 368.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 34035103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).