1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C11H17N3OS — CID 84516169

IUPAC1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cscn1)NC1CCCC1
InChIInChI=1S/C11H17N3OS/c15-11(14-9-3-1-2-4-9)12-6-5-10-7-16-8-13-10/h7-9H,1-6H2,(H2,12,14,15)
InChIKeyJIGKGFHAUCOHBR-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 84516169) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID84516169
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cscn1)NC1CCCC1
InChIInChI=1S/C11H17N3OS/c15-11(14-9-3-1-2-4-9)12-6-5-10-7-16-8-13-10/h7-9H,1-6H2,(H2,12,14,15)
InChIKeyJIGKGFHAUCOHBR-UHFFFAOYSA-N
XLogP1.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63824705
N-cyclohexyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679381
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249390
1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073
1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 129466028
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 84516169) is 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1cscn1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is JIGKGFHAUCOHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11(14-9-3-1-2-4-9)12-6-5-10-7-16-8-13-10/h7-9H,1-6H2,(H2,12,14,15).
What are the key properties of 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 239.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 84516169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).