1-ethyl-3-(2-methylpropanoylamino)thiourea

C7H15N3OS — CID 5192858

IUPAC1-ethyl-3-(2-methylpropanoylamino)thiourea
SMILESCCNC(=S)NNC(=O)C(C)C
InChIInChI=1S/C7H15N3OS/c1-4-8-7(12)10-9-6(11)5(2)3/h5H,4H2,1-3H3,(H,9,11)(H2,8,10,12)
InChIKeyMPRPGODXUPRTNL-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.16
Rot. Bonds2

About 1-ethyl-3-(2-methylpropanoylamino)thiourea

1-ethyl-3-(2-methylpropanoylamino)thiourea (PubChem CID 5192858) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropanoylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropanoylamino)thiourea
PubChem CID5192858
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name1-ethyl-3-(2-methylpropanoylamino)thiourea
SMILESCCNC(=S)NNC(=O)C(C)C
InChIInChI=1S/C7H15N3OS/c1-4-8-7(12)10-9-6(11)5(2)3/h5H,4H2,1-3H3,(H,9,11)(H2,8,10,12)
InChIKeyMPRPGODXUPRTNL-UHFFFAOYSA-N
XLogP0.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-3-(2-methylpropanoylamino)thiourea?
The IUPAC name of 1-ethyl-3-(2-methylpropanoylamino)thiourea (CID 5192858) is 1-ethyl-3-(2-methylpropanoylamino)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-methylpropanoylamino)thiourea?
The canonical SMILES for 1-ethyl-3-(2-methylpropanoylamino)thiourea is CCNC(=S)NNC(=O)C(C)C.
What is the InChIKey of 1-ethyl-3-(2-methylpropanoylamino)thiourea?
The InChIKey is MPRPGODXUPRTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-4-8-7(12)10-9-6(11)5(2)3/h5H,4H2,1-3H3,(H,9,11)(H2,8,10,12).
What are the key properties of 1-ethyl-3-(2-methylpropanoylamino)thiourea?
1-ethyl-3-(2-methylpropanoylamino)thiourea has a molecular weight of 189.28 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropanoylamino)thiourea is sourced from PubChem (CID 5192858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).