2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide

C16H18N4OS2 — CID 71943584

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)Cc2sc(=S)[nH]c2C)nc2ccccc21
InChIInChI=1S/C16H18N4OS2/c1-3-8-20-12-7-5-4-6-11(12)18-15(20)19-14(21)9-13-10(2)17-16(22)23-13/h4-7H,3,8-9H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyGBROIFGMCQXJRK-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide (PubChem CID 71943584) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
PubChem CID71943584
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)Cc2sc(=S)[nH]c2C)nc2ccccc21
InChIInChI=1S/C16H18N4OS2/c1-3-8-20-12-7-5-4-6-11(12)18-15(20)19-14(21)9-13-10(2)17-16(22)23-13/h4-7H,3,8-9H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyGBROIFGMCQXJRK-UHFFFAOYSA-N
XLogP4.06
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
CID 30178636
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]-1H-pyrrole-3-carboxylate
CID 51229971
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 4831317
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
CID 46557950
N-(1-propylbenzimidazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27668468
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 27827443

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide (CID 71943584) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide is CCCn1c(NC(=O)Cc2sc(=S)[nH]c2C)nc2ccccc21.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The InChIKey is GBROIFGMCQXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-3-8-20-12-7-5-4-6-11(12)18-15(20)19-14(21)9-13-10(2)17-16(22)23-13/h4-7H,3,8-9H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide has a molecular weight of 346.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 71943584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).