1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea

C17H20N4OS — CID 100772607

IUPAC1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cn1
InChIInChI=1S/C17H20N4OS/c1-22-15-5-4-14(12-19-15)20-16(23)21-17(8-2-3-9-17)13-6-10-18-11-7-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,20,21,23)
InChIKeyRCUIFQFUGVQCBY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.24
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea

1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea (PubChem CID 100772607) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
PubChem CID100772607
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cn1
InChIInChI=1S/C17H20N4OS/c1-22-15-5-4-14(12-19-15)20-16(23)21-17(8-2-3-9-17)13-6-10-18-11-7-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,20,21,23)
InChIKeyRCUIFQFUGVQCBY-UHFFFAOYSA-N
XLogP3.24
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100767724
1-(3,5-dimethylphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100765080
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
1-[4-(phenylsulfanylmethyl)phenyl]-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100768255
1-(4-ethylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766912
1-(6-methoxy-3-pyridinyl)-3-propylthiourea
CID 42992989
N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
CID 123262554
1-[1-(3,4-dimethoxyphenyl)cyclopentyl]-3-(4-methoxyphenyl)thiourea
CID 100766167
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 94841351
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea (CID 100772607) is 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea is COc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
The InChIKey is RCUIFQFUGVQCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-22-15-5-4-14(12-19-15)20-16(23)21-17(8-2-3-9-17)13-6-10-18-11-7-13/h4-7,10-12H,2-3,8-9H2,1H3,(H2,20,21,23).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea?
1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea has a molecular weight of 328.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea is sourced from PubChem (CID 100772607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).