1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea

C15H22N6OS — CID 118777990

IUPAC1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
SMILESCC(C)c1nnsc1CNC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C15H22N6OS/c1-10(2)14-12(23-20-19-14)9-16-15(22)18-13-7-8-17-21(13)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,18,22)
InChIKeyPRBRLGKMAJBTLA-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.29
Rot. Bonds5

About 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea

1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea (PubChem CID 118777990) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
PubChem CID118777990
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
SMILESCC(C)c1nnsc1CNC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C15H22N6OS/c1-10(2)14-12(23-20-19-14)9-16-15(22)18-13-7-8-17-21(13)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,18,22)
InChIKeyPRBRLGKMAJBTLA-UHFFFAOYSA-N
XLogP3.29
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea (CID 118777990) is 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea is CC(C)c1nnsc1CNC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea?
The InChIKey is PRBRLGKMAJBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-10(2)14-12(23-20-19-14)9-16-15(22)18-13-7-8-17-21(13)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,18,22).
What are the key properties of 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea?
1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea has a molecular weight of 334.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea is sourced from PubChem (CID 118777990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).