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

C16H26N2S — CID 19675508

IUPAC1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)CNC(=S)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2S/c1-11(2)10-17-16(19)18-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11-13H,10H2,1-5H3,(H2,17,18,19)
InChIKeyJNEMFGKPQURRLX-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.99
Rot. Bonds5

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

1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (PubChem CID 19675508) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
PubChem CID19675508
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)CNC(=S)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2S/c1-11(2)10-17-16(19)18-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11-13H,10H2,1-5H3,(H2,17,18,19)
InChIKeyJNEMFGKPQURRLX-UHFFFAOYSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.99
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-(3,4-dimethylphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19675009
1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675507
1-methyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675506
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
1-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methylpropyl)thiourea
CID 19675592
3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 51968699
1-[(1S)-1-(4-bromophenyl)ethyl]-3-propylthiourea
CID 8677112
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
CID 19675086
3-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61251261
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (CID 19675508) is 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is CC(C)CNC(=S)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The InChIKey is JNEMFGKPQURRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11(2)10-17-16(19)18-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11-13H,10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea has a molecular weight of 278.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).