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

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

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Related Compounds

1-(1-Cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71862982
3-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981652
1-(1-Cyclopentylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72106165
1-[1-(1,3-Thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 134789042
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
1-(Cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea
CID 99840018
3-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
CID 119048108
1-(Cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71867913
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide
CID 71867915
1-[(1-Ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 22559646
1-methyl-3-(2-methylpropyl)-1-[(3R)-1-(5-methyl-1,3-thiazole-2-carbonyl)piperidin-3-yl]urea
CID 178585234
1-[1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 53520602

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).