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

C17H19N3OS — CID 100642601

IUPAC1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCOc1cccnc1NC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-21-15-10-5-11-18-16(15)20-17(22)19-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,5-6,8,10-11,14H,4,7,9H2,1H3,(H2,18,19,20,22)/t14-/m1/s1
InChIKeyUQEZKMZAIGKRAU-CQSZACIVSA-N
MW313.43 g/mol
LogP3.45
Rot. Bonds3

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

1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (PubChem CID 100642601) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
PubChem CID100642601
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
SMILESCOc1cccnc1NC(=S)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-21-15-10-5-11-18-16(15)20-17(22)19-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,5-6,8,10-11,14H,4,7,9H2,1H3,(H2,18,19,20,22)/t14-/m1/s1
InChIKeyUQEZKMZAIGKRAU-CQSZACIVSA-N
XLogP3.45
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.45
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-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
1-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 62304428
1-(4-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669333
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
1-(2-propan-2-ylphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 2441518
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethoxyphenyl)thiourea
CID 3723161
1-(1-methoxypropan-2-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 46800324
1-propyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 8669343
1-(3,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 133214458

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea (CID 100642601) is 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is COc1cccnc1NC(=S)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
The InChIKey is UQEZKMZAIGKRAU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-21-15-10-5-11-18-16(15)20-17(22)19-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,5-6,8,10-11,14H,4,7,9H2,1H3,(H2,18,19,20,22)/t14-/m1/s1.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea?
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea has a molecular weight of 313.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea is sourced from PubChem (CID 100642601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).