N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane

C22H25N7O2S — CID 158472837

IUPACN-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane
SMILESC.O=C(Nc1cnccc1N1CCCNCC1)c1csc(-n2c(=O)[nH]c3ccccc32)n1
InChIInChI=1S/C21H21N7O2S.CH4/c29-19(24-15-12-23-8-6-17(15)27-10-3-7-22-9-11-27)16-13-31-21(26-16)28-18-5-2-1-4-14(18)25-20(28)30;/h1-2,4-6,8,12-13,22H,3,7,9-11H2,(H,24,29)(H,25,30);1H4
InChIKeyHGOFBPMXLRSCNA-UHFFFAOYSA-N
MW451.56 g/mol
LogP2.86
Rot. Bonds4

About N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane

N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane (PubChem CID 158472837) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane.

Molecular Properties

Compound NameN-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane
PubChem CID158472837
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC NameN-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane
SMILESC.O=C(Nc1cnccc1N1CCCNCC1)c1csc(-n2c(=O)[nH]c3ccccc32)n1
InChIInChI=1S/C21H21N7O2S.CH4/c29-19(24-15-12-23-8-6-17(15)27-10-3-7-22-9-11-27)16-13-31-21(26-16)28-18-5-2-1-4-14(18)25-20(28)30;/h1-2,4-6,8,12-13,22H,3,7,9-11H2,(H,24,29)(H,25,30);1H4
InChIKeyHGOFBPMXLRSCNA-UHFFFAOYSA-N
XLogP2.86
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71053448
2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332357
2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71101744
2-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332116
2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90892435
tert-butyl 7-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-4-pyridinyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane;3-methyl-1H-benzimidazol-2-one
CID 160990844
2-[3-methyl-2-oxo-4-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332029
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
2-indazol-1-yl-N-(4-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332392
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-[5-methoxy-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59503865

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane?
The IUPAC name of N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane (CID 158472837) is N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane.
What is the SMILES notation for N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane?
The canonical SMILES for N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane is C.O=C(Nc1cnccc1N1CCCNCC1)c1csc(-n2c(=O)[nH]c3ccccc32)n1.
What is the InChIKey of N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane?
The InChIKey is HGOFBPMXLRSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2S.CH4/c29-19(24-15-12-23-8-6-17(15)27-10-3-7-22-9-11-27)16-13-31-21(26-16)28-18-5-2-1-4-14(18)25-20(28)30;/h1-2,4-6,8,12-13,22H,3,7,9-11H2,(H,24,29)(H,25,30);1H4.
What are the key properties of N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane?
N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane has a molecular weight of 451.56 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane is sourced from PubChem (CID 158472837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).