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

C16H24N2OS — CID 115570799

IUPAC1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
SMILESCCOCCCNC(=S)NC1CCc2ccccc2C1
InChIInChI=1S/C16H24N2OS/c1-2-19-11-5-10-17-16(20)18-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-7,15H,2,5,8-12H2,1H3,(H2,17,18,20)
InChIKeyUXVCSPVZPRTYHQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.43
Rot. Bonds6

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

1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea (PubChem CID 115570799) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
PubChem CID115570799
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
SMILESCCOCCCNC(=S)NC1CCc2ccccc2C1
InChIInChI=1S/C16H24N2OS/c1-2-19-11-5-10-17-16(20)18-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-7,15H,2,5,8-12H2,1H3,(H2,17,18,20)
InChIKeyUXVCSPVZPRTYHQ-UHFFFAOYSA-N
XLogP2.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
CID 115570802
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
1-(3-ethoxypropyl)-3-(1-methylpiperidin-4-yl)thiourea
CID 115573046
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 60719611
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamothioylamino]ethyl benzoate
CID 86647746
1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea
CID 115594287
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
1-[(2-chlorophenyl)methyl]-3-(3-ethoxypropyl)thiourea
CID 113218362
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
1-butyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 7744929

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea (CID 115570799) is 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea is CCOCCCNC(=S)NC1CCc2ccccc2C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
The InChIKey is UXVCSPVZPRTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-19-11-5-10-17-16(20)18-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-7,15H,2,5,8-12H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea?
1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea has a molecular weight of 292.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea is sourced from PubChem (CID 115570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).