1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea

C11H11N3OS — CID 3762817

IUPAC1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
SMILESCn1ccsc1=NC(=O)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15)
InChIKeyKWALDNQIQIFHQI-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.22
Rot. Bonds1

About 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea

1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea (PubChem CID 3762817) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea.

Molecular Properties

Compound Name1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
PubChem CID3762817
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
SMILESCn1ccsc1=NC(=O)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15)
InChIKeyKWALDNQIQIFHQI-UHFFFAOYSA-N
XLogP2.22
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
The IUPAC name of 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea (CID 3762817) is 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea.
What is the SMILES notation for 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
The canonical SMILES for 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea is Cn1ccsc1=NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
The InChIKey is KWALDNQIQIFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15).
What are the key properties of 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea has a molecular weight of 233.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea is sourced from PubChem (CID 3762817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).