1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C16H14N4O2S — CID 10758495

IUPAC1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-13-9-7-12(8-10-13)17-15(21)19-16-18-14(20-23-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyRSYPCTBZDPFLMI-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 10758495) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID10758495
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-13-9-7-12(8-10-13)17-15(21)19-16-18-14(20-23-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyRSYPCTBZDPFLMI-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978870
N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978993
4-(3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978998
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15980696
1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582800
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582801
N-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686710
1,2,4-Thiadiazolium, 5-amino-3-(4-methoxyphenyl)-2-phenyl-
CID 482604
5-Amino-3-(4-methoxyphenyl)-2-phenyl-1,2,4-tiadiazolium chloride
CID 9840052
1-[(4-Fluorophenyl)methyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-6-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]anilino]-1,3,5-triazine-2,4-dione
CID 68020624
1-[(4-Fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]anilino]-1,3,5-triazine-2,4-dione
CID 118945655

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 10758495) is 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is COc1ccc(NC(=O)Nc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is RSYPCTBZDPFLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-13-9-7-12(8-10-13)17-15(21)19-16-18-14(20-23-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 326.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 10758495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).