1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

C11H18N4S2 — CID 20980166

IUPAC1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCC1CCCCN1)Nc1nccs1
InChIInChI=1S/C11H18N4S2/c16-10(15-11-14-7-8-17-11)13-6-4-9-3-1-2-5-12-9/h7-9,12H,1-6H2,(H2,13,14,15,16)
InChIKeyXEBBIEPHEJCKPC-UHFFFAOYSA-N
MW270.43 g/mol
LogP1.96
Rot. Bonds4

About 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 20980166) has the molecular formula C11H18N4S2 and a molecular weight of 270.43 g/mol. Its IUPAC name is 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID20980166
Molecular FormulaC11H18N4S2
Molecular Weight270.43 g/mol
Exact Mass270.10
IUPAC Name1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCC1CCCCN1)Nc1nccs1
InChIInChI=1S/C11H18N4S2/c16-10(15-11-14-7-8-17-11)13-6-4-9-3-1-2-5-12-9/h7-9,12H,1-6H2,(H2,13,14,15,16)
InChIKeyXEBBIEPHEJCKPC-UHFFFAOYSA-N
XLogP1.96
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
CID 79559653
N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132023
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 106616473
N-methyl-N-(2-piperidin-2-ylethyl)-1,3-thiazol-2-amine
CID 83839715
1-[(1R)-1-cyclohexylethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3002367
1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
CID 19703671
1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001163
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-(2-piperidin-2-ylethyl)thiourea
CID 87898779
5-chloro-2-fluoro-4-(2-pyrrolidin-2-ylethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 161424157
1-[2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001098
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 20980166) is 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCC1CCCCN1)Nc1nccs1.
What is the InChIKey of 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is XEBBIEPHEJCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S2/c16-10(15-11-14-7-8-17-11)13-6-4-9-3-1-2-5-12-9/h7-9,12H,1-6H2,(H2,13,14,15,16).
What are the key properties of 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 270.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 20980166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).