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

C11H17N3S2 — CID 116508515

IUPAC1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
SMILESS=C(NCCc1nccs1)NC1CCCC1
InChIInChI=1S/C11H17N3S2/c15-11(14-9-3-1-2-4-9)13-6-5-10-12-7-8-16-10/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyBSOVHJSYACSAON-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.09
Rot. Bonds4

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

1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea (PubChem CID 116508515) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
PubChem CID116508515
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
SMILESS=C(NCCc1nccs1)NC1CCCC1
InChIInChI=1S/C11H17N3S2/c15-11(14-9-3-1-2-4-9)13-6-5-10-12-7-8-16-10/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyBSOVHJSYACSAON-UHFFFAOYSA-N
XLogP2.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395713
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
1-cyclopropyl-3-[2-(1H-imidazol-2-yl)ethyl]thiourea
CID 116510338
1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 49314742
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea (CID 116508515) is 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea is S=C(NCCc1nccs1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
The InChIKey is BSOVHJSYACSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c15-11(14-9-3-1-2-4-9)13-6-5-10-12-7-8-16-10/h7-9H,1-6H2,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea?
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea has a molecular weight of 255.41 g/mol, XLogP of 2.09, 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-2-yl)ethyl]thiourea is sourced from PubChem (CID 116508515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).