2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C20H17N5O3S — CID 71728728

IUPAC2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccccc1CN1CCN(c2ncc(C(=O)NCc3ccco3)s2)C1=O
InChIInChI=1S/C20H17N5O3S/c21-10-14-4-1-2-5-15(14)13-24-7-8-25(20(24)27)19-23-12-17(29-19)18(26)22-11-16-6-3-9-28-16/h1-6,9,12H,7-8,11,13H2,(H,22,26)
InChIKeyZEVBKMJCPCDBOW-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 71728728) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID71728728
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccccc1CN1CCN(c2ncc(C(=O)NCc3ccco3)s2)C1=O
InChIInChI=1S/C20H17N5O3S/c21-10-14-4-1-2-5-15(14)13-24-7-8-25(20(24)27)19-23-12-17(29-19)18(26)22-11-16-6-3-9-28-16/h1-6,9,12H,7-8,11,13H2,(H,22,26)
InChIKeyZEVBKMJCPCDBOW-UHFFFAOYSA-N
XLogP2.98
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579072
3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783155
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303579
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
CID 94804302
N-benzyl-2-[3-[(4-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59481262
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583
N-(furan-2-ylmethyl)-2-[6-(4-methylpiperazin-1-yl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide
CID 97446604
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
2-[5-[(4-tert-butylphenyl)methyl]-9-fluorospiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 50923284
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9286763

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 71728728) is 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide is N#Cc1ccccc1CN1CCN(c2ncc(C(=O)NCc3ccco3)s2)C1=O.
What is the InChIKey of 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZEVBKMJCPCDBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c21-10-14-4-1-2-5-15(14)13-24-7-8-25(20(24)27)19-23-12-17(29-19)18(26)22-11-16-6-3-9-28-16/h1-6,9,12H,7-8,11,13H2,(H,22,26).
What are the key properties of 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71728728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).