1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

C15H24N2S — CID 19675507

IUPAC1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)NC(=S)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-10(2)13-6-8-14(9-7-13)12(5)17-15(18)16-11(3)4/h6-12H,1-5H3,(H2,16,17,18)
InChIKeyVXGFEWCYLMHPNZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.74
Rot. Bonds4

About 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (PubChem CID 19675507) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
PubChem CID19675507
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)NC(=S)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-10(2)13-6-8-14(9-7-13)12(5)17-15(18)16-11(3)4/h6-12H,1-5H3,(H2,16,17,18)
InChIKeyVXGFEWCYLMHPNZ-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
1-methyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675506
1-[(1S)-1-(4-phenylphenyl)ethyl]-3-propan-2-ylthiourea
CID 8903102
1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675508
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
1-(3,4-dimethoxyphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675491
2-(propan-2-ylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60671194

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (CID 19675507) is 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is CC(C)NC(=S)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The InChIKey is VXGFEWCYLMHPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10(2)13-6-8-14(9-7-13)12(5)17-15(18)16-11(3)4/h6-12H,1-5H3,(H2,16,17,18).
What are the key properties of 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea has a molecular weight of 264.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).