1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

C14H18N2S — CID 5237269

IUPAC1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESS=C(NC1CC1)NC1CCCc2ccccc21
InChIInChI=1S/C14H18N2S/c17-14(15-11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H2,15,16,17)
InChIKeyAESGCLUMDXCWSQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.69
Rot. Bonds2

About 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (PubChem CID 5237269) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
PubChem CID5237269
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESS=C(NC1CC1)NC1CCCc2ccccc21
InChIInChI=1S/C14H18N2S/c17-14(15-11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H2,15,16,17)
InChIKeyAESGCLUMDXCWSQ-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.69
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

N,N'-Dibenzylthiourea
CID 838375
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CID 714760
N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
CID 972720
1-Cyclohexyl-3-(1-phenyl-ethyl)-thiourea
CID 2788079
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
1-Cyclohexyl-3-(4-methylbenzyl)thiourea
CID 4646958
1-Benzyl-3-(4-phenylbutyl)thiourea
CID 19650185
1-Cyclohexyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675085
1-(4-Fluorobenzyl)-3-(1-phenylpropyl)thiourea
CID 19675344
1-Benzyl-3-cyclohexylthiourea
CID 693948
1-Benzyl-3-(3-phenylpropyl)thiourea
CID 4219053
N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
CID 760296

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (CID 5237269) is 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is S=C(NC1CC1)NC1CCCc2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The InChIKey is AESGCLUMDXCWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c17-14(15-11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9H2,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea has a molecular weight of 246.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is sourced from PubChem (CID 5237269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).