1-(cyclopropanecarbonylamino)-3-phenylthiourea

C11H13N3OS — CID 680998

IUPAC1-(cyclopropanecarbonylamino)-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)C1CC1
InChIInChI=1S/C11H13N3OS/c15-10(8-6-7-8)13-14-11(16)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H2,12,14,16)
InChIKeyBYBQJFBRQIIBEW-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.41
Rot. Bonds2

About 1-(cyclopropanecarbonylamino)-3-phenylthiourea

1-(cyclopropanecarbonylamino)-3-phenylthiourea (PubChem CID 680998) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(cyclopropanecarbonylamino)-3-phenylthiourea.

Molecular Properties

Compound Name1-(cyclopropanecarbonylamino)-3-phenylthiourea
PubChem CID680998
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(cyclopropanecarbonylamino)-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)C1CC1
InChIInChI=1S/C11H13N3OS/c15-10(8-6-7-8)13-14-11(16)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H2,12,14,16)
InChIKeyBYBQJFBRQIIBEW-UHFFFAOYSA-N
XLogP1.41
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.41
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

N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
1-(cyclopentanecarbonylamino)-3-(4-fluorophenyl)thiourea
CID 9469539
1-[[(1R)-cyclohex-2-ene-1-carbonyl]amino]-3-phenylthiourea
CID 822024
1-phenyl-3-[(phenylcarbamothioylamino)carbamothioylamino]urea
CID 102154024
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
1-(cyclopropanecarbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2730250
N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 46761188
1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea
CID 27209991
1-[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[2-(phenylcarbamothioyl)hydrazinyl]butanoyl]amino]-3-phenylthiourea
CID 7096739
N'-phenylcyclohexanecarbohydrazide
CID 544018
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonylamino)-3-phenylthiourea?
The IUPAC name of 1-(cyclopropanecarbonylamino)-3-phenylthiourea (CID 680998) is 1-(cyclopropanecarbonylamino)-3-phenylthiourea.
What is the SMILES notation for 1-(cyclopropanecarbonylamino)-3-phenylthiourea?
The canonical SMILES for 1-(cyclopropanecarbonylamino)-3-phenylthiourea is O=C(NNC(=S)Nc1ccccc1)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonylamino)-3-phenylthiourea?
The InChIKey is BYBQJFBRQIIBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-10(8-6-7-8)13-14-11(16)12-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H2,12,14,16).
What are the key properties of 1-(cyclopropanecarbonylamino)-3-phenylthiourea?
1-(cyclopropanecarbonylamino)-3-phenylthiourea has a molecular weight of 235.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonylamino)-3-phenylthiourea is sourced from PubChem (CID 680998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).