N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C13H12N4O3S — CID 121123734

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H12N4O3S/c1-7-10(21-12(16-7)9-3-2-4-20-9)6-14-11(18)8-5-15-13(19)17-8/h2-5H,6H2,1H3,(H,14,18)(H2,15,17,19)
InChIKeyHVAFKLZVAINSOT-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.66
Rot. Bonds4

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 121123734) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID121123734
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H12N4O3S/c1-7-10(21-12(16-7)9-3-2-4-20-9)6-14-11(18)8-5-15-13(19)17-8/h2-5H,6H2,1H3,(H,14,18)(H2,15,17,19)
InChIKeyHVAFKLZVAINSOT-UHFFFAOYSA-N
XLogP1.66
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
CID 121123691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121123707
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 121123486

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 121123734) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is Cc1nc(-c2ccco2)sc1CNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is HVAFKLZVAINSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-7-10(21-12(16-7)9-3-2-4-20-9)6-14-11(18)8-5-15-13(19)17-8/h2-5H,6H2,1H3,(H,14,18)(H2,15,17,19).
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 121123734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).