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

C17H28N4OS — CID 75521290

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NC2CCN(C3CCCC3)C2)s1
InChIInChI=1S/C17H28N4OS/c1-12(16-18-10-13(2)23-16)9-19-17(22)20-14-7-8-21(11-14)15-5-3-4-6-15/h10,12,14-15H,3-9,11H2,1-2H3,(H2,19,20,22)
InChIKeyIJLCGUIPHOTIEE-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.87
Rot. Bonds5

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

1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75521290) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75521290
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc(C(C)CNC(=O)NC2CCN(C3CCCC3)C2)s1
InChIInChI=1S/C17H28N4OS/c1-12(16-18-10-13(2)23-16)9-19-17(22)20-14-7-8-21(11-14)15-5-3-4-6-15/h10,12,14-15H,3-9,11H2,1-2H3,(H2,19,20,22)
InChIKeyIJLCGUIPHOTIEE-UHFFFAOYSA-N
XLogP2.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75521290) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1cnc(C(C)CNC(=O)NC2CCN(C3CCCC3)C2)s1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is IJLCGUIPHOTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-12(16-18-10-13(2)23-16)9-19-17(22)20-14-7-8-21(11-14)15-5-3-4-6-15/h10,12,14-15H,3-9,11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 336.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75521290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).