1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea

C16H24N2S — CID 100764659

IUPAC1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea
SMILESCc1cccc(NC(=S)NC2(C(C)C)CCCC2)c1
InChIInChI=1S/C16H24N2S/c1-12(2)16(9-4-5-10-16)18-15(19)17-14-8-6-7-13(3)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,17,18,19)
InChIKeyBAISARFIJAMCJA-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.25
Rot. Bonds3

About 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea

1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea (PubChem CID 100764659) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea
PubChem CID100764659
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea
SMILESCc1cccc(NC(=S)NC2(C(C)C)CCCC2)c1
InChIInChI=1S/C16H24N2S/c1-12(2)16(9-4-5-10-16)18-15(19)17-14-8-6-7-13(3)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,17,18,19)
InChIKeyBAISARFIJAMCJA-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.25
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-(2,4-dimethylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea
CID 100764876
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-[3-(4-tert-butylbenzoyl)phenyl]-3-(1-propan-2-ylcyclopentyl)thiourea
CID 100770632
ethyl 2-chloro-5-[(1-propan-2-ylcyclopentyl)carbamothioylamino]benzoate
CID 100770740
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
1-(4-bromophenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100765878
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948
1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100765123
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-(3-methylphenyl)-3-pyridin-4-ylthiourea
CID 19655574

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea?
The IUPAC name of 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea (CID 100764659) is 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea?
The canonical SMILES for 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea is Cc1cccc(NC(=S)NC2(C(C)C)CCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea?
The InChIKey is BAISARFIJAMCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12(2)16(9-4-5-10-16)18-15(19)17-14-8-6-7-13(3)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea?
1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea has a molecular weight of 276.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea is sourced from PubChem (CID 100764659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).