1-amino-3-(2-propan-2-yloxyethyl)thiourea

C6H15N3OS — CID 104762816

IUPAC1-amino-3-(2-propan-2-yloxyethyl)thiourea
SMILESCC(C)OCCNC(=S)NN
InChIInChI=1S/C6H15N3OS/c1-5(2)10-4-3-8-6(11)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,11)
InChIKeyZXPBZAVOQNONMC-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.25
Rot. Bonds4

About 1-amino-3-(2-propan-2-yloxyethyl)thiourea

1-amino-3-(2-propan-2-yloxyethyl)thiourea (PubChem CID 104762816) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-amino-3-(2-propan-2-yloxyethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-propan-2-yloxyethyl)thiourea
PubChem CID104762816
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name1-amino-3-(2-propan-2-yloxyethyl)thiourea
SMILESCC(C)OCCNC(=S)NN
InChIInChI=1S/C6H15N3OS/c1-5(2)10-4-3-8-6(11)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,11)
InChIKeyZXPBZAVOQNONMC-UHFFFAOYSA-N
XLogP-0.25
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
2-propan-2-yloxyethylurea
CID 22179539
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761678
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
1-amino-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761182
1-(3-propan-2-yloxypropyl)-3-pyrimidin-2-ylthiourea
CID 100559986
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-propan-2-yloxyethyl)thiourea?
The IUPAC name of 1-amino-3-(2-propan-2-yloxyethyl)thiourea (CID 104762816) is 1-amino-3-(2-propan-2-yloxyethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-propan-2-yloxyethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-propan-2-yloxyethyl)thiourea is CC(C)OCCNC(=S)NN.
What is the InChIKey of 1-amino-3-(2-propan-2-yloxyethyl)thiourea?
The InChIKey is ZXPBZAVOQNONMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-5(2)10-4-3-8-6(11)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-amino-3-(2-propan-2-yloxyethyl)thiourea?
1-amino-3-(2-propan-2-yloxyethyl)thiourea has a molecular weight of 177.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-propan-2-yloxyethyl)thiourea is sourced from PubChem (CID 104762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).