1-amino-3-(2-piperazin-1-ylethyl)thiourea

C7H17N5S — CID 10104341

IUPAC1-amino-3-(2-piperazin-1-ylethyl)thiourea
SMILESNNC(=S)NCCN1CCNCC1
InChIInChI=1S/C7H17N5S/c8-11-7(13)10-3-6-12-4-1-9-2-5-12/h9H,1-6,8H2,(H2,10,11,13)
InChIKeyBEXGYBDBOBVKEY-UHFFFAOYSA-N
MW203.31 g/mol
LogP-1.77
Rot. Bonds3

About 1-amino-3-(2-piperazin-1-ylethyl)thiourea

1-amino-3-(2-piperazin-1-ylethyl)thiourea (PubChem CID 10104341) has the molecular formula C7H17N5S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-amino-3-(2-piperazin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-piperazin-1-ylethyl)thiourea
PubChem CID10104341
Molecular FormulaC7H17N5S
Molecular Weight203.31 g/mol
Exact Mass203.12
IUPAC Name1-amino-3-(2-piperazin-1-ylethyl)thiourea
SMILESNNC(=S)NCCN1CCNCC1
InChIInChI=1S/C7H17N5S/c8-11-7(13)10-3-6-12-4-1-9-2-5-12/h9H,1-6,8H2,(H2,10,11,13)
InChIKeyBEXGYBDBOBVKEY-UHFFFAOYSA-N
XLogP-1.77
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-Piperidinoethyl)-3-thiosemicarbazide
CID 2760462
4-Methylpiperazine-1-carbothiohydrazide
CID 15291742
4-Ethylpiperazine-1-carbothiohydrazide
CID 82281176
Piperazine-1,4-dicarbothiohydrazide
CID 3001885
1-Ethyl-3-(4-methylpiperazin-1-yl)thiourea
CID 886375
4-[2-Diethylaminoethyl]thiosemicarbazide
CID 5368036
Piperazine dithiosemicarbazide
CID 129760510
Hydrazinecarbothioamide, N-[2-(dimethylamino)ethyl]-
CID 10352005
1-Amino-3-[2-(dipropylamino)ethyl]thiourea
CID 18341778
[2-(1-Methylpiperazin-1-ium-1-yl)ethylamino]thiourea
CID 53675211
2-Methylpiperazine-1-carbothiohydrazide
CID 87548329
2-(Aminocarbamothioylamino)ethyl-trimethylazanium
CID 88364651

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-piperazin-1-ylethyl)thiourea?
The IUPAC name of 1-amino-3-(2-piperazin-1-ylethyl)thiourea (CID 10104341) is 1-amino-3-(2-piperazin-1-ylethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-piperazin-1-ylethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-piperazin-1-ylethyl)thiourea is NNC(=S)NCCN1CCNCC1.
What is the InChIKey of 1-amino-3-(2-piperazin-1-ylethyl)thiourea?
The InChIKey is BEXGYBDBOBVKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5S/c8-11-7(13)10-3-6-12-4-1-9-2-5-12/h9H,1-6,8H2,(H2,10,11,13).
What are the key properties of 1-amino-3-(2-piperazin-1-ylethyl)thiourea?
1-amino-3-(2-piperazin-1-ylethyl)thiourea has a molecular weight of 203.31 g/mol, XLogP of -1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-piperazin-1-ylethyl)thiourea is sourced from PubChem (CID 10104341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).