N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide

C21H21N5O2S — CID 117092091

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Nc3nc4ccccc4n3C)s2)cc1
InChIInChI=1S/C21H21N5O2S/c1-26-17-6-4-3-5-16(17)24-20(26)25-21-23-13-18(29-21)19(27)22-12-11-14-7-9-15(28-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyAKUNFSZLTPMZOI-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 117092091) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
PubChem CID117092091
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(Nc3nc4ccccc4n3C)s2)cc1
InChIInChI=1S/C21H21N5O2S/c1-26-17-6-4-3-5-16(17)24-20(26)25-21-23-13-18(29-21)19(27)22-12-11-14-7-9-15(28-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyAKUNFSZLTPMZOI-UHFFFAOYSA-N
XLogP3.75
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117086083
N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51234522
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117087862
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4,6-triamine
CID 117093415
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117085541
N-[2-(4-methoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591044
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide (CID 117092091) is N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide is COc1ccc(CCNC(=O)c2cnc(Nc3nc4ccccc4n3C)s2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is AKUNFSZLTPMZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-26-17-6-4-3-5-16(17)24-20(26)25-21-23-13-18(29-21)19(27)22-12-11-14-7-9-15(28-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,27)(H,23,24,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117092091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).