1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea

C10H10N4OS — CID 727791

IUPAC1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C10H10N4OS/c1-7-2-4-8(5-3-7)12-9(15)13-10-14-11-6-16-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyNKKRQPPOZQYMPU-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.49
Rot. Bonds2

About 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 727791) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID727791
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C10H10N4OS/c1-7-2-4-8(5-3-7)12-9(15)13-10-14-11-6-16-10/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyNKKRQPPOZQYMPU-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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Related Compounds

1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
Urea, N-phenyl-N'-1,3,4-thiadiazol-2-yl-
CID 100304
1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)urea
CID 2476754
1-Phenyl-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
CID 660808
3-amino-N-(4-methylphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole-4-carboxamide
CID 1489723
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(2,4-dimethylphenyl)urea
CID 16016654
1-(5-Propylsulfanyl-[1,3,4]thiadiazol-2-yl)-3-p-tolyl-urea
CID 1907238
N-(4-methylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 738490
3-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-1-(2,5-dimethylphenyl)urea
CID 16016612
3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(4-methylphenyl)urea
CID 16016656
3-[5-(Azepan-1-YL)-1,3,4-thiadiazol-2-YL]-1-(2-methylphenyl)urea
CID 16016829

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 727791) is 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea is Cc1ccc(NC(=O)Nc2nncs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is NKKRQPPOZQYMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7-2-4-8(5-3-7)12-9(15)13-10-14-11-6-16-10/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea 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-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 727791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).