N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

C18H20N4OS — CID 10291035

IUPACN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2ncn(CC(=O)Nc3ncc(C4CCC4)s3)c2cc1C
InChIInChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23)
InChIKeyBBSYDDJGTACDNC-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.02
Rot. Bonds4

About N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (PubChem CID 10291035) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
PubChem CID10291035
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2ncn(CC(=O)Nc3ncc(C4CCC4)s3)c2cc1C
InChIInChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23)
InChIKeyBBSYDDJGTACDNC-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (CID 10291035) is N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is Cc1cc2ncn(CC(=O)Nc3ncc(C4CCC4)s3)c2cc1C.
What is the InChIKey of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The InChIKey is BBSYDDJGTACDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 10291035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).