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

C28H33N5OS — CID 67395774

IUPACN-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(-c2sc(N(C)C)nc2C(=O)N(CCc2nc3cc(C)c(C)cc3[nH]2)CC2CC2)c1
InChIInChI=1S/C28H33N5OS/c1-17-7-6-8-21(13-17)26-25(31-28(35-26)32(4)5)27(34)33(16-20-9-10-20)12-11-24-29-22-14-18(2)19(3)15-23(22)30-24/h6-8,13-15,20H,9-12,16H2,1-5H3,(H,29,30)
InChIKeyJFSAIQOZJJSODA-UHFFFAOYSA-N
MW487.67 g/mol
LogP5.77
Rot. Bonds8

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

N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67395774) has the molecular formula C28H33N5OS and a molecular weight of 487.67 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID67395774
Molecular FormulaC28H33N5OS
Molecular Weight487.67 g/mol
Exact Mass487.24
IUPAC NameN-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(-c2sc(N(C)C)nc2C(=O)N(CCc2nc3cc(C)c(C)cc3[nH]2)CC2CC2)c1
InChIInChI=1S/C28H33N5OS/c1-17-7-6-8-21(13-17)26-25(31-28(35-26)32(4)5)27(34)33(16-20-9-10-20)12-11-24-29-22-14-18(2)19(3)15-23(22)30-24/h6-8,13-15,20H,9-12,16H2,1-5H3,(H,29,30)
InChIKeyJFSAIQOZJJSODA-UHFFFAOYSA-N
XLogP5.77
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 67395774) is N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(-c2sc(N(C)C)nc2C(=O)N(CCc2nc3cc(C)c(C)cc3[nH]2)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JFSAIQOZJJSODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5OS/c1-17-7-6-8-21(13-17)26-25(31-28(35-26)32(4)5)27(34)33(16-20-9-10-20)12-11-24-29-22-14-18(2)19(3)15-23(22)30-24/h6-8,13-15,20H,9-12,16H2,1-5H3,(H,29,30).
What are the key properties of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67395774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).