N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide

C21H22N6O2S2 — CID 10310566

IUPACN-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1
InChIInChI=1S/C21H22N6O2S2/c28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyDGVPPGCDJXPZBX-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.43
Rot. Bonds5

About N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide

N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 10310566) has the molecular formula C21H22N6O2S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID10310566
Molecular FormulaC21H22N6O2S2
Molecular Weight454.58 g/mol
Exact Mass454.12
IUPAC NameN-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1
InChIInChI=1S/C21H22N6O2S2/c28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyDGVPPGCDJXPZBX-UHFFFAOYSA-N
XLogP2.43
TPSA110.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide
CID 18718200
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 110796357
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 142812767

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide (CID 10310566) is N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1.
What is the InChIKey of N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DGVPPGCDJXPZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S2/c28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 2.43, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10310566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).