1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea

C21H26N2O2S — CID 133216380

IUPAC1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCOc1ccc2c(c1)CCCC2NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H26N2O2S/c1-14(2)25-18-8-5-7-16(13-18)22-21(26)23-20-9-4-6-15-12-17(24-3)10-11-19(15)20/h5,7-8,10-14,20H,4,6,9H2,1-3H3,(H2,22,23,26)
InChIKeyKUTSQHKSNOVZAI-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.85
Rot. Bonds5

About 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea

1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea (PubChem CID 133216380) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea.

Molecular Properties

Compound Name1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea
PubChem CID133216380
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCOc1ccc2c(c1)CCCC2NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H26N2O2S/c1-14(2)25-18-8-5-7-16(13-18)22-21(26)23-20-9-4-6-15-12-17(24-3)10-11-19(15)20/h5,7-8,10-14,20H,4,6,9H2,1-3H3,(H2,22,23,26)
InChIKeyKUTSQHKSNOVZAI-UHFFFAOYSA-N
XLogP4.85
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100729084
1-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methylphenyl)thiourea
CID 100728041
1-(3-bromophenyl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 133216340
1-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methylphenyl)thiourea
CID 100728030
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
methyl 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamothioylamino]benzoate
CID 133216370
1-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-propan-2-ylphenyl)thiourea
CID 100728152
1-(3-chloro-4-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100728492
1-(1,3-benzodioxol-5-yl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100728417
1-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100728721
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028114

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea?
The IUPAC name of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea (CID 133216380) is 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea.
What is the SMILES notation for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea?
The canonical SMILES for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea is COc1ccc2c(c1)CCCC2NC(=S)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea?
The InChIKey is KUTSQHKSNOVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(2)25-18-8-5-7-16(13-18)22-21(26)23-20-9-4-6-15-12-17(24-3)10-11-19(15)20/h5,7-8,10-14,20H,4,6,9H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea?
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea has a molecular weight of 370.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea is sourced from PubChem (CID 133216380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).