1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea

C16H26N4OS — CID 71978932

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(NC(=O)NC2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C16H26N4OS/c1-2-14-11-17-16(22-14)19-15(21)18-12-7-9-20(10-8-12)13-5-3-4-6-13/h11-13H,2-10H2,1H3,(H2,17,18,19,21)
InChIKeyQVTDYXNHBPVGPA-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.23
Rot. Bonds4

About 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea

1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea (PubChem CID 71978932) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
PubChem CID71978932
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(NC(=O)NC2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C16H26N4OS/c1-2-14-11-17-16(22-14)19-15(21)18-12-7-9-20(10-8-12)13-5-3-4-6-13/h11-13H,2-10H2,1H3,(H2,17,18,19,21)
InChIKeyQVTDYXNHBPVGPA-UHFFFAOYSA-N
XLogP3.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
CID 44593265
1-(1-Cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71862982
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-(1-Cyclopentylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72106165
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
N-cyclohexyl-5-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
CID 12259645
1-(1-Methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 136536027
N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide
CID 42604368
N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 122147132
1-(5-Ethyl-1,3-thiazol-2-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 136528980
1-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 137933497
1-Methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
CID 167953396

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea (CID 71978932) is 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea is CCc1cnc(NC(=O)NC2CCN(C3CCCC3)CC2)s1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The InChIKey is QVTDYXNHBPVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-2-14-11-17-16(22-14)19-15(21)18-12-7-9-20(10-8-12)13-5-3-4-6-13/h11-13H,2-10H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea has a molecular weight of 322.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71978932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).