2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C20H20N6O2S2 — CID 58279303

IUPAC2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2cccc3[nH]c(-c4sc(N5CCOCC5)nc4C)nc23)s1
InChIInChI=1S/C20H20N6O2S2/c1-11-10-21-19(29-11)25-18(27)13-4-3-5-14-15(13)24-17(23-14)16-12(2)22-20(30-16)26-6-8-28-9-7-26/h3-5,10H,6-9H2,1-2H3,(H,23,24)(H,21,25,27)
InChIKeyUHFOFYQJMCAJDD-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58279303) has the molecular formula C20H20N6O2S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58279303
Molecular FormulaC20H20N6O2S2
Molecular Weight440.55 g/mol
Exact Mass440.11
IUPAC Name2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2cccc3[nH]c(-c4sc(N5CCOCC5)nc4C)nc23)s1
InChIInChI=1S/C20H20N6O2S2/c1-11-10-21-19(29-11)25-18(27)13-4-3-5-14-15(13)24-17(23-14)16-12(2)22-20(30-16)26-6-8-28-9-7-26/h3-5,10H,6-9H2,1-2H3,(H,23,24)(H,21,25,27)
InChIKeyUHFOFYQJMCAJDD-UHFFFAOYSA-N
XLogP3.85
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide
CID 58279154
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728
2-[4-(2-methylidenemorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946496
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032970
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 143922333
N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 4314491
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 8919530
CID 88946473
CID 88946473
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58279303) is 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is Cc1cnc(NC(=O)c2cccc3[nH]c(-c4sc(N5CCOCC5)nc4C)nc23)s1.
What is the InChIKey of 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is UHFOFYQJMCAJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S2/c1-11-10-21-19(29-11)25-18(27)13-4-3-5-14-15(13)24-17(23-14)16-12(2)22-20(30-16)26-6-8-28-9-7-26/h3-5,10H,6-9H2,1-2H3,(H,23,24)(H,21,25,27).
What are the key properties of 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).