1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea

C14H20N2S — CID 800148

IUPAC1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea
SMILESCc1cccc(NC(=S)NC2CCCC2)c1C
InChIInChI=1S/C14H20N2S/c1-10-6-5-9-13(11(10)2)16-14(17)15-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,15,16,17)
InChIKeyIWVZCHCCOJIGPV-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.53
Rot. Bonds2

About 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea

1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea (PubChem CID 800148) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea
PubChem CID800148
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea
SMILESCc1cccc(NC(=S)NC2CCCC2)c1C
InChIInChI=1S/C14H20N2S/c1-10-6-5-9-13(11(10)2)16-14(17)15-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,15,16,17)
InChIKeyIWVZCHCCOJIGPV-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.53
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

Alpha-Naphthylthiourea
CID 736366
N-(2-Methylphenyl)thiourea
CID 2787703
Thiourea, (3-methylphenyl)-
CID 701727
Methiuron
CID 3034319
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
Thiourea, N-phenyl-N'-(3-phenylpropyl)-
CID 3549496
1,3-Bis(o-tolyl)thiourea
CID 688028
(3,4-Dimethylphenyl)thiourea
CID 854809
1-Benzyl-3-phenyl-2-thiourea
CID 668300
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide
CID 805906
N-(3-methylphenyl)-1-piperidinecarbothioamide
CID 723471
5-Ethyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
CID 751652

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea (CID 800148) is 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea is Cc1cccc(NC(=S)NC2CCCC2)c1C.
What is the InChIKey of 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea?
The InChIKey is IWVZCHCCOJIGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10-6-5-9-13(11(10)2)16-14(17)15-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea?
1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea has a molecular weight of 248.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea is sourced from PubChem (CID 800148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).