1-(3-cyanophenyl)-3-thiophen-2-ylurea

C12H9N3OS — CID 3236565

IUPAC1-(3-cyanophenyl)-3-thiophen-2-ylurea
SMILESN#Cc1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C12H9N3OS/c13-8-9-3-1-4-10(7-9)14-12(16)15-11-5-2-6-17-11/h1-7H,(H2,14,15,16)
InChIKeyDWLDQGOJXWJQSP-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-cyanophenyl)-3-thiophen-2-ylurea

1-(3-cyanophenyl)-3-thiophen-2-ylurea (PubChem CID 3236565) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-thiophen-2-ylurea
PubChem CID3236565
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name1-(3-cyanophenyl)-3-thiophen-2-ylurea
SMILESN#Cc1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C12H9N3OS/c13-8-9-3-1-4-10(7-9)14-12(16)15-11-5-2-6-17-11/h1-7H,(H2,14,15,16)
InChIKeyDWLDQGOJXWJQSP-UHFFFAOYSA-N
XLogP3.26
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyto5G7
CID 2820107
N-(2-methylphenyl)-N'-thien-2-ylurea
CID 3237082
N-(2,4-difluorophenyl)-N'-thien-2-ylurea
CID 4101595
1-(3-Methylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2177724
N-(4-methylbenzyl)-N'-thien-2-ylurea
CID 3237696
N-(3-ethylphenyl)-N'-thien-2-ylurea
CID 3242865
N-(4-ethylphenyl)-N'-thien-2-ylurea
CID 3245074
N-(2-cyanophenyl)-N'-thien-2-ylurea
CID 3245122
1-(2,4-Dimethylphenyl)-3-(thiophen-2-YL)urea
CID 16011337
1-(2,3-Dimethylphenyl)-3-(thiophen-2-YL)urea
CID 16011360
1-(3,5-Dimethylphenyl)-3-(thiophen-2-YL)urea
CID 16011363
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24982321

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(3-cyanophenyl)-3-thiophen-2-ylurea (CID 3236565) is 1-(3-cyanophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(3-cyanophenyl)-3-thiophen-2-ylurea is N#Cc1cccc(NC(=O)Nc2cccs2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-thiophen-2-ylurea?
The InChIKey is DWLDQGOJXWJQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-8-9-3-1-4-10(7-9)14-12(16)15-11-5-2-6-17-11/h1-7H,(H2,14,15,16).
What are the key properties of 1-(3-cyanophenyl)-3-thiophen-2-ylurea?
1-(3-cyanophenyl)-3-thiophen-2-ylurea has a molecular weight of 243.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 3236565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).