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

C10H17N5S2 — CID 22923272

IUPAC1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESCC(NC(=S)Nc1nccs1)N1CCNCC1
InChIInChI=1S/C10H17N5S2/c1-8(15-5-2-11-3-6-15)13-9(16)14-10-12-4-7-17-10/h4,7-8,11H,2-3,5-6H2,1H3,(H2,12,13,14,16)
InChIKeyVUWVJVVUWMEAOD-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.68
Rot. Bonds3

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

1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 22923272) has the molecular formula C10H17N5S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID22923272
Molecular FormulaC10H17N5S2
Molecular Weight271.41 g/mol
Exact Mass271.09
IUPAC Name1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESCC(NC(=S)Nc1nccs1)N1CCNCC1
InChIInChI=1S/C10H17N5S2/c1-8(15-5-2-11-3-6-15)13-9(16)14-10-12-4-7-17-10/h4,7-8,11H,2-3,5-6H2,1H3,(H2,12,13,14,16)
InChIKeyVUWVJVVUWMEAOD-UHFFFAOYSA-N
XLogP0.68
TPSA52.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 22923272) is 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is CC(NC(=S)Nc1nccs1)N1CCNCC1.
What is the InChIKey of 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is VUWVJVVUWMEAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S2/c1-8(15-5-2-11-3-6-15)13-9(16)14-10-12-4-7-17-10/h4,7-8,11H,2-3,5-6H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 271.41 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperazin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 22923272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).