1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea

C19H23N3OS — CID 100772660

IUPAC1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
SMILESCOc1cccnc1NC(=S)NC1(c2cccc(C)c2)CCCC1
InChIInChI=1S/C19H23N3OS/c1-14-7-5-8-15(13-14)19(10-3-4-11-19)22-18(24)21-17-16(23-2)9-6-12-20-17/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyWZHVEQSPIDGWLP-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea

1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea (PubChem CID 100772660) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
PubChem CID100772660
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
SMILESCOc1cccnc1NC(=S)NC1(c2cccc(C)c2)CCCC1
InChIInChI=1S/C19H23N3OS/c1-14-7-5-8-15(13-14)19(10-3-4-11-19)22-18(24)21-17-16(23-2)9-6-12-20-17/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyWZHVEQSPIDGWLP-UHFFFAOYSA-N
XLogP4.15
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.15
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-[1-(3-methylphenyl)cyclopentyl]-3-pyridin-3-ylthiourea
CID 100772383
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
1-(3-methyl-2-pyridinyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100771973
1-(4-bromophenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100765878
1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100773012
1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-[4-(cyanomethyl)phenyl]-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100767555
1-[1-(3,4-dimethoxyphenyl)cyclopentyl]-3-(4-methoxyphenyl)thiourea
CID 100766167
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-(2,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766554
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
CID 11379829

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea (CID 100772660) is 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea is COc1cccnc1NC(=S)NC1(c2cccc(C)c2)CCCC1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
The InChIKey is WZHVEQSPIDGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-7-5-8-15(13-14)19(10-3-4-11-19)22-18(24)21-17-16(23-2)9-6-12-20-17/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea?
1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea has a molecular weight of 341.48 g/mol, XLogP of 4.15, 4 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-[1-(3-methylphenyl)cyclopentyl]thiourea is sourced from PubChem (CID 100772660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).