1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea

C18H27N5OS — CID 164642973

IUPAC1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea
SMILESCc1csc(C2(NC(=O)Nc3ccnn3[C@@H](C)CC(C)C)CCC2)n1
InChIInChI=1S/C18H27N5OS/c1-12(2)10-14(4)23-15(6-9-19-23)21-17(24)22-18(7-5-8-18)16-20-13(3)11-25-16/h6,9,11-12,14H,5,7-8,10H2,1-4H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyOEUZLFZGGDYCDV-AWEZNQCLSA-N
MW361.52 g/mol
LogP4.46
Rot. Bonds6

About 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea

1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea (PubChem CID 164642973) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea
PubChem CID164642973
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea
SMILESCc1csc(C2(NC(=O)Nc3ccnn3[C@@H](C)CC(C)C)CCC2)n1
InChIInChI=1S/C18H27N5OS/c1-12(2)10-14(4)23-15(6-9-19-23)21-17(24)22-18(7-5-8-18)16-20-13(3)11-25-16/h6,9,11-12,14H,5,7-8,10H2,1-4H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyOEUZLFZGGDYCDV-AWEZNQCLSA-N
XLogP4.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea?
The IUPAC name of 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea (CID 164642973) is 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea.
What is the SMILES notation for 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea?
The canonical SMILES for 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea is Cc1csc(C2(NC(=O)Nc3ccnn3[C@@H](C)CC(C)C)CCC2)n1.
What is the InChIKey of 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea?
The InChIKey is OEUZLFZGGDYCDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-12(2)10-14(4)23-15(6-9-19-23)21-17(24)22-18(7-5-8-18)16-20-13(3)11-25-16/h6,9,11-12,14H,5,7-8,10H2,1-4H3,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea?
1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea has a molecular weight of 361.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea is sourced from PubChem (CID 164642973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).