1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea

C15H18N2S2 — CID 973029

IUPAC1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NCc2cccs2)cc1
InChIInChI=1S/C15H18N2S2/c1-11(2)12-5-7-13(8-6-12)17-15(18)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H2,16,17,18)
InChIKeyRSHYHVILOTWLLY-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea

1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 973029) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea
PubChem CID973029
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NCc2cccs2)cc1
InChIInChI=1S/C15H18N2S2/c1-11(2)12-5-7-13(8-6-12)17-15(18)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H2,16,17,18)
InChIKeyRSHYHVILOTWLLY-UHFFFAOYSA-N
XLogP4.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methylphenyl)sulfanylethyl]-3-phenylthiourea
CID 2172121
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
N-benzyl-N'-(2,4-dimethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4246039
N-[2-(dimethylamino)ethyl]-N'-(4-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598531
N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598533
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
N-benzyl-N'-(2-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 16193217
N-1-naphthyl-N'-(2-thienylmethyl)thiourea
CID 970583
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600984
1-Phenyl-3-(thiophen-2-ylmethyl)thiourea
CID 841821
5-Methyl-2-(4-methylphenyl)-5-(2-thienyl)-1,2,4-triazolidine-3-thione
CID 2921295
1-(2,3-Dimethylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800183

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea (CID 973029) is 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea is CC(C)c1ccc(NC(=S)NCc2cccs2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is RSHYHVILOTWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11(2)12-5-7-13(8-6-12)17-15(18)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea?
1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 290.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 973029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).