1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea

C17H25N5OS — CID 84600787

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
SMILESCc1cnc(C(C)CNC(=O)NC2CCCCC2n2cccn2)s1
InChIInChI=1S/C17H25N5OS/c1-12(16-18-11-13(2)24-16)10-19-17(23)21-14-6-3-4-7-15(14)22-9-5-8-20-22/h5,8-9,11-12,14-15H,3-4,6-7,10H2,1-2H3,(H2,19,21,23)
InChIKeyABWOFELGQCUJQO-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea

1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea (PubChem CID 84600787) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
PubChem CID84600787
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
SMILESCc1cnc(C(C)CNC(=O)NC2CCCCC2n2cccn2)s1
InChIInChI=1S/C17H25N5OS/c1-12(16-18-11-13(2)24-16)10-19-17(23)21-14-6-3-4-7-15(14)22-9-5-8-20-22/h5,8-9,11-12,14-15H,3-4,6-7,10H2,1-2H3,(H2,19,21,23)
InChIKeyABWOFELGQCUJQO-UHFFFAOYSA-N
XLogP3.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea (CID 84600787) is 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea is Cc1cnc(C(C)CNC(=O)NC2CCCCC2n2cccn2)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
The InChIKey is ABWOFELGQCUJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(16-18-11-13(2)24-16)10-19-17(23)21-14-6-3-4-7-15(14)22-9-5-8-20-22/h5,8-9,11-12,14-15H,3-4,6-7,10H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea has a molecular weight of 347.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(2-pyrazol-1-ylcyclohexyl)urea is sourced from PubChem (CID 84600787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).