1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea

C14H20N2S — CID 7991812

IUPAC1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCC(C)NC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C14H20N2S/c1-10(2)15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H2,15,16,17)/t13-/m1/s1
InChIKeyAWCHAMPWEOSHCV-CYBMUJFWSA-N
MW248.40 g/mol
LogP2.94
Rot. Bonds2

About 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea

1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (PubChem CID 7991812) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
PubChem CID7991812
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCC(C)NC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C14H20N2S/c1-10(2)15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H2,15,16,17)/t13-/m1/s1
InChIKeyAWCHAMPWEOSHCV-CYBMUJFWSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.94
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
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CID 2828021
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CID 714760
5-Benzyl-1-cyclohexyl-1,3,5-triazinane-2-thione
CID 3546588
N-cyclopropyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
CID 972720
1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
1-Cyclohexyl-3-(1-phenyl-ethyl)-thiourea
CID 2788079
4,6-Diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione
CID 2725891
1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 4079580
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
1-Cyclohexyl-3-(4-methylbenzyl)thiourea
CID 4646958
1-Cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 5237269

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The IUPAC name of 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (CID 7991812) is 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.
What is the SMILES notation for 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The canonical SMILES for 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is CC(C)NC(=S)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The InChIKey is AWCHAMPWEOSHCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10(2)15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H2,15,16,17)/t13-/m1/s1.
What are the key properties of 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea has a molecular weight of 248.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is sourced from PubChem (CID 7991812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).