1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea

C10H10N4OS — CID 729600

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea
SMILESCc1nnc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C10H10N4OS/c1-7-13-14-10(16-7)12-9(15)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15)
InChIKeyPWIAKUGDTDBTRX-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.49
Rot. Bonds2

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea (PubChem CID 729600) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea
PubChem CID729600
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea
SMILESCc1nnc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C10H10N4OS/c1-7-13-14-10(16-7)12-9(15)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15)
InChIKeyPWIAKUGDTDBTRX-UHFFFAOYSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea (CID 729600) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea is Cc1nnc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The InChIKey is PWIAKUGDTDBTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7-13-14-10(16-7)12-9(15)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,14,15).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea has a molecular weight of 234.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 729600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).