1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea

C17H21N3OS — CID 100651701

IUPAC1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1
InChIInChI=1S/C17H21N3OS/c1-4-14(13-9-7-12(2)8-10-13)19-17(22)20-16-15(21-3)6-5-11-18-16/h5-11,14H,4H2,1-3H3,(H2,18,19,20,22)/t14-/m1/s1
InChIKeyPOPFRMNXIFZJKY-CQSZACIVSA-N
MW315.44 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea

1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea (PubChem CID 100651701) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
PubChem CID100651701
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1
InChIInChI=1S/C17H21N3OS/c1-4-14(13-9-7-12(2)8-10-13)19-17(22)20-16-15(21-3)6-5-11-18-16/h5-11,14H,4H2,1-3H3,(H2,18,19,20,22)/t14-/m1/s1
InChIKeyPOPFRMNXIFZJKY-CQSZACIVSA-N
XLogP3.84
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.84
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-(3-methoxy-2-pyridinyl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216727
1-[1-(3,4-dimethylphenyl)propyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 133216504
1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100731749
1-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100747897
1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
CID 100651617
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
CID 11379829
1-[1-(4-methylphenyl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133215492
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
3-methoxy-N-(1-phenylpropyl)pyridin-2-amine
CID 112568517
1-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 133230923
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100734726
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea (CID 100651701) is 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea is CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(C)cc1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
The InChIKey is POPFRMNXIFZJKY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-4-14(13-9-7-12(2)8-10-13)19-17(22)20-16-15(21-3)6-5-11-18-16/h5-11,14H,4H2,1-3H3,(H2,18,19,20,22)/t14-/m1/s1.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea has a molecular weight of 315.44 g/mol, XLogP of 3.84, 5 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-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 100651701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).