1-(butanoylamino)-3-ethylthiourea

C7H15N3OS — CID 15917370

IUPAC1-(butanoylamino)-3-ethylthiourea
SMILESCCCC(=O)NNC(=S)NCC
InChIInChI=1S/C7H15N3OS/c1-3-5-6(11)9-10-7(12)8-4-2/h3-5H2,1-2H3,(H,9,11)(H2,8,10,12)
InChIKeySLQJFZKYDAGLNQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.30
Rot. Bonds3

About 1-(butanoylamino)-3-ethylthiourea

1-(butanoylamino)-3-ethylthiourea (PubChem CID 15917370) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-(butanoylamino)-3-ethylthiourea.

Molecular Properties

Compound Name1-(butanoylamino)-3-ethylthiourea
PubChem CID15917370
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name1-(butanoylamino)-3-ethylthiourea
SMILESCCCC(=O)NNC(=S)NCC
InChIInChI=1S/C7H15N3OS/c1-3-5-6(11)9-10-7(12)8-4-2/h3-5H2,1-2H3,(H,9,11)(H2,8,10,12)
InChIKeySLQJFZKYDAGLNQ-UHFFFAOYSA-N
XLogP0.30
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.30
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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Related Compounds

1-ethyl-3-[(2-hydroxyacetyl)amino]thiourea
CID 53353059
1-ethyl-3-[[2-[2-(ethylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 2349980
1-(octadecanoylamino)-3-prop-2-enylthiourea
CID 11463658
N-[(butanoylamino)carbamothioyl]cyclohexanecarboxamide
CID 17340126
N-ethylbutanamide;methanimine
CID 142280316
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659
1-methyl-3-(octadecanoylamino)thiourea
CID 4189426
N-[4-[(ethylcarbamothioylamino)carbamoyl]phenyl]pentanamide
CID 4930340
1-ethyl-3-[4-(3-methylphenoxy)butanoylamino]thiourea
CID 7977503
N-[3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 7977380
1-[(2-diphenylphosphorylacetyl)amino]-3-ethylthiourea
CID 171365830
1-benzyl-3-(hexanoylamino)thiourea
CID 40511757

Frequently Asked Questions

What is the IUPAC name of 1-(butanoylamino)-3-ethylthiourea?
The IUPAC name of 1-(butanoylamino)-3-ethylthiourea (CID 15917370) is 1-(butanoylamino)-3-ethylthiourea.
What is the SMILES notation for 1-(butanoylamino)-3-ethylthiourea?
The canonical SMILES for 1-(butanoylamino)-3-ethylthiourea is CCCC(=O)NNC(=S)NCC.
What is the InChIKey of 1-(butanoylamino)-3-ethylthiourea?
The InChIKey is SLQJFZKYDAGLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-3-5-6(11)9-10-7(12)8-4-2/h3-5H2,1-2H3,(H,9,11)(H2,8,10,12).
What are the key properties of 1-(butanoylamino)-3-ethylthiourea?
1-(butanoylamino)-3-ethylthiourea has a molecular weight of 189.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butanoylamino)-3-ethylthiourea is sourced from PubChem (CID 15917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).