1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea

C17H17N5OS — CID 166962975

IUPAC1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1cccc(NC(=O)Nc2nnc(-c3ccncc3)s2)c1
InChIInChI=1S/C17H17N5OS/c1-2-4-12-5-3-6-14(11-12)19-16(23)20-17-22-21-15(24-17)13-7-9-18-10-8-13/h3,5-11H,2,4H2,1H3,(H2,19,20,22,23)
InChIKeyQPQYJTGLTPZJHQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.20
Rot. Bonds5

About 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea

1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 166962975) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID166962975
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1cccc(NC(=O)Nc2nnc(-c3ccncc3)s2)c1
InChIInChI=1S/C17H17N5OS/c1-2-4-12-5-3-6-14(11-12)19-16(23)20-17-22-21-15(24-17)13-7-9-18-10-8-13/h3,5-11H,2,4H2,1H3,(H2,19,20,22,23)
InChIKeyQPQYJTGLTPZJHQ-UHFFFAOYSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-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

1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 15993448
1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 166962966
2-[(3-ethylphenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3506200
1-(4-bromo-3-cyanophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 71607477
2-[(3-ethylphenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3441616
1-(3-chlorophenyl)-3-(5-undecyl-1,3,4-thiadiazol-2-yl)urea
CID 3849762
1-(3,4-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 931488
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1388900
1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1335320

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea (CID 166962975) is 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is CCCc1cccc(NC(=O)Nc2nnc(-c3ccncc3)s2)c1.
What is the InChIKey of 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is QPQYJTGLTPZJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-4-12-5-3-6-14(11-12)19-16(23)20-17-22-21-15(24-17)13-7-9-18-10-8-13/h3,5-11H,2,4H2,1H3,(H2,19,20,22,23).
What are the key properties of 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 339.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 166962975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).