1-(cyclopropanecarbonylamino)-3-ethylthiourea

C7H13N3OS — CID 5172982

IUPAC1-(cyclopropanecarbonylamino)-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)C1CC1
InChIInChI=1S/C7H13N3OS/c1-2-8-7(12)10-9-6(11)5-3-4-5/h5H,2-4H2,1H3,(H,9,11)(H2,8,10,12)
InChIKeyJVLILILXLSQXJV-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.09
Rot. Bonds2

About 1-(cyclopropanecarbonylamino)-3-ethylthiourea

1-(cyclopropanecarbonylamino)-3-ethylthiourea (PubChem CID 5172982) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-(cyclopropanecarbonylamino)-3-ethylthiourea.

Molecular Properties

Compound Name1-(cyclopropanecarbonylamino)-3-ethylthiourea
PubChem CID5172982
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-(cyclopropanecarbonylamino)-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)C1CC1
InChIInChI=1S/C7H13N3OS/c1-2-8-7(12)10-9-6(11)5-3-4-5/h5H,2-4H2,1H3,(H,9,11)(H2,8,10,12)
InChIKeyJVLILILXLSQXJV-UHFFFAOYSA-N
XLogP-0.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.09
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-(cyclopropanecarbonylamino)-3-ethylthiourea?
The IUPAC name of 1-(cyclopropanecarbonylamino)-3-ethylthiourea (CID 5172982) is 1-(cyclopropanecarbonylamino)-3-ethylthiourea.
What is the SMILES notation for 1-(cyclopropanecarbonylamino)-3-ethylthiourea?
The canonical SMILES for 1-(cyclopropanecarbonylamino)-3-ethylthiourea is CCNC(=S)NNC(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonylamino)-3-ethylthiourea?
The InChIKey is JVLILILXLSQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-8-7(12)10-9-6(11)5-3-4-5/h5H,2-4H2,1H3,(H,9,11)(H2,8,10,12).
What are the key properties of 1-(cyclopropanecarbonylamino)-3-ethylthiourea?
1-(cyclopropanecarbonylamino)-3-ethylthiourea has a molecular weight of 187.27 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonylamino)-3-ethylthiourea is sourced from PubChem (CID 5172982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).