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

C7H16N4S — CID 10012709

IUPAC1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea
SMILESNNC(=S)NCCN1CCCC1
InChIInChI=1S/C7H16N4S/c8-10-7(12)9-3-6-11-4-1-2-5-11/h1-6,8H2,(H2,9,10,12)
InChIKeyAGEZPXMUZGYSMO-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.58
Rot. Bonds3

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

1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea (PubChem CID 10012709) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea
PubChem CID10012709
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea
SMILESNNC(=S)NCCN1CCCC1
InChIInChI=1S/C7H16N4S/c8-10-7(12)9-3-6-11-4-1-2-5-11/h1-6,8H2,(H2,9,10,12)
InChIKeyAGEZPXMUZGYSMO-UHFFFAOYSA-N
XLogP-0.58
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea?
The IUPAC name of 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea (CID 10012709) is 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea is NNC(=S)NCCN1CCCC1.
What is the InChIKey of 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea?
The InChIKey is AGEZPXMUZGYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c8-10-7(12)9-3-6-11-4-1-2-5-11/h1-6,8H2,(H2,9,10,12).
What are the key properties of 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea?
1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea has a molecular weight of 188.30 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-pyrrolidin-1-ylethyl)thiourea is sourced from PubChem (CID 10012709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).