N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide

C12H16N4O3S — CID 18474103

IUPACN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)C2CNC(=O)N2)s1
InChIInChI=1S/C12H16N4O3S/c1-5(2)8-3-6(9(13)17)11(20-8)16-10(18)7-4-14-12(19)15-7/h3,5,7H,4H2,1-2H3,(H2,13,17)(H,16,18)(H2,14,15,19)
InChIKeyCMEDLQZPRKCUDI-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.59
Rot. Bonds4

About N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide

N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 18474103) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide
PubChem CID18474103
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)C2CNC(=O)N2)s1
InChIInChI=1S/C12H16N4O3S/c1-5(2)8-3-6(9(13)17)11(20-8)16-10(18)7-4-14-12(19)15-7/h3,5,7H,4H2,1-2H3,(H2,13,17)(H,16,18)(H2,14,15,19)
InChIKeyCMEDLQZPRKCUDI-UHFFFAOYSA-N
XLogP0.59
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-((2-Aminoethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560912
1-(3-((2-(Dimethylamino)ethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560914
1-(3-((5-Oxo-1,4-diazepan-6-yl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560972
2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]thiophene-3-carboxamide
CID 8083216
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-2-yl)thiophen-2-yl)urea
CID 44560618
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-3-yl)thiophen-2-yl)urea
CID 44560619
(R)-1-(3-((1-methylpiperidin-3-yl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560706
1-(3-((2-(Methylamino)ethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560913
2-(Isopropylcarbamoylamino)-5-phenyl-thiophene-3-carboxamide
CID 9922475
2-[(Cyclobutylcarbonyl)amino]-5-isopropyl-3-thiophenecarboxamide
CID 1245075
1-(3-((2-Aminoethyl)(methyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560935
1-(3-((2-Oxoazepan-3-yl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560971

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide (CID 18474103) is N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide is CC(C)c1cc(C(N)=O)c(NC(=O)C2CNC(=O)N2)s1.
What is the InChIKey of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is CMEDLQZPRKCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-5(2)8-3-6(9(13)17)11(20-8)16-10(18)7-4-14-12(19)15-7/h3,5,7H,4H2,1-2H3,(H2,13,17)(H,16,18)(H2,14,15,19).
What are the key properties of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide?
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 18474103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).