1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea

C15H17ClN4OS — CID 166237059

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1csnn1
InChIInChI=1S/C15H17ClN4OS/c1-10(13-8-22-20-19-13)18-14(21)17-9-15(6-7-15)11-2-4-12(16)5-3-11/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,21)
InChIKeyMXLKHNLTRHAITG-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.28
Rot. Bonds5

About 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea (PubChem CID 166237059) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
PubChem CID166237059
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1csnn1
InChIInChI=1S/C15H17ClN4OS/c1-10(13-8-22-20-19-13)18-14(21)17-9-15(6-7-15)11-2-4-12(16)5-3-11/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,21)
InChIKeyMXLKHNLTRHAITG-UHFFFAOYSA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea (CID 166237059) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea is CC(NC(=O)NCC1(c2ccc(Cl)cc2)CC1)c1csnn1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The InChIKey is MXLKHNLTRHAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-10(13-8-22-20-19-13)18-14(21)17-9-15(6-7-15)11-2-4-12(16)5-3-11/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,21).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea has a molecular weight of 336.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[1-(thiadiazol-4-yl)ethyl]urea is sourced from PubChem (CID 166237059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).