1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea

C19H22ClN3S — CID 100772553

IUPAC1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea
SMILESS=C(Nc1ccncc1)NC1(CCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H22ClN3S/c20-16-5-3-15(4-6-16)7-12-19(10-1-2-11-19)23-18(24)22-17-8-13-21-14-9-17/h3-6,8-9,13-14H,1-2,7,10-12H2,(H2,21,22,23,24)
InChIKeyNDASGMDFHJWZOB-UHFFFAOYSA-N
MW359.93 g/mol
LogP4.97
Rot. Bonds5

About 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea

1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea (PubChem CID 100772553) has the molecular formula C19H22ClN3S and a molecular weight of 359.93 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea
PubChem CID100772553
Molecular FormulaC19H22ClN3S
Molecular Weight359.93 g/mol
Exact Mass359.12
IUPAC Name1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea
SMILESS=C(Nc1ccncc1)NC1(CCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H22ClN3S/c20-16-5-3-15(4-6-16)7-12-19(10-1-2-11-19)23-18(24)22-17-8-13-21-14-9-17/h3-6,8-9,13-14H,1-2,7,10-12H2,(H2,21,22,23,24)
InChIKeyNDASGMDFHJWZOB-UHFFFAOYSA-N
XLogP4.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.93
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100772253
ethyl 2-chloro-5-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100770772
ethyl 2-chloro-4-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100770883
1-[3-(4-chlorophenyl)propyl]-3-pyridin-4-ylthiourea
CID 100673409
1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100771605
methyl 4-chloro-3-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100769833
1-(3,4-dimethylphenyl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100765224
1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100765123
1-(3-chloro-4-methoxyphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100767770
1-[1-(2-phenylethyl)cyclopentyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100771317
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100768031
1-[2-(4-chlorophenyl)ethyl]cyclopentan-1-ol
CID 18398262

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea (CID 100772553) is 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea is S=C(Nc1ccncc1)NC1(CCc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea?
The InChIKey is NDASGMDFHJWZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3S/c20-16-5-3-15(4-6-16)7-12-19(10-1-2-11-19)23-18(24)22-17-8-13-21-14-9-17/h3-6,8-9,13-14H,1-2,7,10-12H2,(H2,21,22,23,24).
What are the key properties of 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea?
1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea has a molecular weight of 359.93 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea is sourced from PubChem (CID 100772553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).