1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea

C13H17N3OS — CID 27209991

IUPAC1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)NNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H17N3OS/c1-9(10-5-3-2-4-6-10)14-13(18)16-15-12(17)11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m0/s1
InChIKeyHZCALZLPFRKLLN-VIFPVBQESA-N
MW263.37 g/mol
LogP1.65
Rot. Bonds3

About 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea

1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea (PubChem CID 27209991) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea
PubChem CID27209991
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)NNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H17N3OS/c1-9(10-5-3-2-4-6-10)14-13(18)16-15-12(17)11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m0/s1
InChIKeyHZCALZLPFRKLLN-VIFPVBQESA-N
XLogP1.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.65
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-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2207675
1-(cyclopropanecarbonylamino)-3-phenylthiourea
CID 680998
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
1-[(1S)-1-phenylethyl]-3-(pyridine-4-carbonylamino)thiourea
CID 7299485
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea?
The IUPAC name of 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea (CID 27209991) is 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea?
The canonical SMILES for 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea is C[C@H](NC(=S)NNC(=O)C1CC1)c1ccccc1.
What is the InChIKey of 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea?
The InChIKey is HZCALZLPFRKLLN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(10-5-3-2-4-6-10)14-13(18)16-15-12(17)11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m0/s1.
What are the key properties of 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea?
1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea has a molecular weight of 263.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea is sourced from PubChem (CID 27209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).