N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide

C21H21N5O2S — CID 71829135

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNc2nc(C(=O)NCCc3nc4ccccc4[nH]3)cs2)cc1
InChIInChI=1S/C21H21N5O2S/c1-28-15-8-6-14(7-9-15)12-23-21-26-18(13-29-21)20(27)22-11-10-19-24-16-4-2-3-5-17(16)25-19/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyMIXWIWNPSOWFHK-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide (PubChem CID 71829135) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide
PubChem CID71829135
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNc2nc(C(=O)NCCc3nc4ccccc4[nH]3)cs2)cc1
InChIInChI=1S/C21H21N5O2S/c1-28-15-8-6-14(7-9-15)12-23-21-26-18(13-29-21)20(27)22-11-10-19-24-16-4-2-3-5-17(16)25-19/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyMIXWIWNPSOWFHK-UHFFFAOYSA-N
XLogP3.61
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 13196132
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505960
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123515
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide (CID 71829135) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide is COc1ccc(CNc2nc(C(=O)NCCc3nc4ccccc4[nH]3)cs2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is MIXWIWNPSOWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-28-15-8-6-14(7-9-15)12-23-21-26-18(13-29-21)20(27)22-11-10-19-24-16-4-2-3-5-17(16)25-19/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(4-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71829135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).