(3-cyano-4,5-dimethylthiophen-2-yl)urea

C8H9N3OS — CID 130621892

IUPAC(3-cyano-4,5-dimethylthiophen-2-yl)urea
SMILESCc1sc(NC(N)=O)c(C#N)c1C
InChIInChI=1S/C8H9N3OS/c1-4-5(2)13-7(6(4)3-9)11-8(10)12/h1-2H3,(H3,10,11,12)
InChIKeyWSCVSBNTOAVPJU-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.73
Rot. Bonds1

About (3-cyano-4,5-dimethylthiophen-2-yl)urea

(3-cyano-4,5-dimethylthiophen-2-yl)urea (PubChem CID 130621892) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (3-cyano-4,5-dimethylthiophen-2-yl)urea.

Molecular Properties

Compound Name(3-cyano-4,5-dimethylthiophen-2-yl)urea
PubChem CID130621892
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(3-cyano-4,5-dimethylthiophen-2-yl)urea
SMILESCc1sc(NC(N)=O)c(C#N)c1C
InChIInChI=1S/C8H9N3OS/c1-4-5(2)13-7(6(4)3-9)11-8(10)12/h1-2H3,(H3,10,11,12)
InChIKeyWSCVSBNTOAVPJU-UHFFFAOYSA-N
XLogP1.73
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-cyano-4,5-dimethylthiophen-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
CID 79812801
1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
CID 55122081
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 903532
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496468
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685

Frequently Asked Questions

What is the IUPAC name of (3-cyano-4,5-dimethylthiophen-2-yl)urea?
The IUPAC name of (3-cyano-4,5-dimethylthiophen-2-yl)urea (CID 130621892) is (3-cyano-4,5-dimethylthiophen-2-yl)urea.
What is the SMILES notation for (3-cyano-4,5-dimethylthiophen-2-yl)urea?
The canonical SMILES for (3-cyano-4,5-dimethylthiophen-2-yl)urea is Cc1sc(NC(N)=O)c(C#N)c1C.
What is the InChIKey of (3-cyano-4,5-dimethylthiophen-2-yl)urea?
The InChIKey is WSCVSBNTOAVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-5(2)13-7(6(4)3-9)11-8(10)12/h1-2H3,(H3,10,11,12).
What are the key properties of (3-cyano-4,5-dimethylthiophen-2-yl)urea?
(3-cyano-4,5-dimethylthiophen-2-yl)urea has a molecular weight of 195.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4,5-dimethylthiophen-2-yl)urea is sourced from PubChem (CID 130621892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).