N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

C19H22N4OS — CID 67396642

IUPACN-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nc(CCN(CC3CC3)C(=O)c3cscn3)[nH]c2cc1C
InChIInChI=1S/C19H22N4OS/c1-12-7-15-16(8-13(12)2)22-18(21-15)5-6-23(9-14-3-4-14)19(24)17-10-25-11-20-17/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyBWARAAWYVKBPBG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.73
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 67396642) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID67396642
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nc(CCN(CC3CC3)C(=O)c3cscn3)[nH]c2cc1C
InChIInChI=1S/C19H22N4OS/c1-12-7-15-16(8-13(12)2)22-18(21-15)5-6-23(9-14-3-4-14)19(24)17-10-25-11-20-17/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyBWARAAWYVKBPBG-UHFFFAOYSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 67396642) is N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc2nc(CCN(CC3CC3)C(=O)c3cscn3)[nH]c2cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BWARAAWYVKBPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-7-15-16(8-13(12)2)22-18(21-15)5-6-23(9-14-3-4-14)19(24)17-10-25-11-20-17/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,21,22).
What are the key properties of N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67396642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).