1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea

C16H14N4OS — CID 60577464

IUPAC1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H14N4OS/c21-16(17-10-12-4-2-1-3-5-12)18-14-8-6-13(7-9-14)15-11-22-20-19-15/h1-9,11H,10H2,(H2,17,18,21)
InChIKeyWLTYKVQYMQVWMV-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.53
Rot. Bonds4

About 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea

1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 60577464) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID60577464
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H14N4OS/c21-16(17-10-12-4-2-1-3-5-12)18-14-8-6-13(7-9-14)15-11-22-20-19-15/h1-9,11H,10H2,(H2,17,18,21)
InChIKeyWLTYKVQYMQVWMV-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(thiadiazol-4-ylmethyl)urea
CID 174441234
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
1-phenyl-2-[[4-(thiadiazol-4-yl)phenyl]methyl]hydrazine
CID 169386844
2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
CID 2739288
2,2-dimethyl-3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 166249699
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577768
1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231442
1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
CID 110748436
2-(3-methoxyphenyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 154795771
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 60577464) is 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea is O=C(NCc1ccccc1)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is WLTYKVQYMQVWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(17-10-12-4-2-1-3-5-12)18-14-8-6-13(7-9-14)15-11-22-20-19-15/h1-9,11H,10H2,(H2,17,18,21).
What are the key properties of 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 310.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 60577464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).