1-cyclopentyl-3-pyridin-4-ylthiourea

C11H15N3S — CID 19655611

IUPAC1-cyclopentyl-3-pyridin-4-ylthiourea
SMILESS=C(Nc1ccncc1)NC1CCCC1
InChIInChI=1S/C11H15N3S/c15-11(13-9-3-1-2-4-9)14-10-5-7-12-8-6-10/h5-9H,1-4H2,(H2,12,13,14,15)
InChIKeyWOPGLERDSJKCFK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.31
Rot. Bonds2

About 1-cyclopentyl-3-pyridin-4-ylthiourea

1-cyclopentyl-3-pyridin-4-ylthiourea (PubChem CID 19655611) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-pyridin-4-ylthiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-pyridin-4-ylthiourea
PubChem CID19655611
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-cyclopentyl-3-pyridin-4-ylthiourea
SMILESS=C(Nc1ccncc1)NC1CCCC1
InChIInChI=1S/C11H15N3S/c15-11(13-9-3-1-2-4-9)14-10-5-7-12-8-6-10/h5-9H,1-4H2,(H2,12,13,14,15)
InChIKeyWOPGLERDSJKCFK-UHFFFAOYSA-N
XLogP2.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.31
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-cycloheptyl-3-phenylthiourea
CID 4085620
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
N-cyclohexylpyridine-4-carbothioamide
CID 121009583
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-(4-chlorophenyl)-3-(cyclopentylcarbamothioylamino)thiourea
CID 971925
1-cyclooctyl-3-(4-nitrophenyl)thiourea
CID 8627304
1-cyclopentyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2373414
1-(3-chloro-4-hydroxyphenyl)-3-cyclohexylthiourea
CID 87655575
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-pyridin-4-ylthiourea
CID 125044957
1-(3-chloro-4-fluorophenyl)-3-cyclopentylthiourea
CID 2105676

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-pyridin-4-ylthiourea?
The IUPAC name of 1-cyclopentyl-3-pyridin-4-ylthiourea (CID 19655611) is 1-cyclopentyl-3-pyridin-4-ylthiourea.
What is the SMILES notation for 1-cyclopentyl-3-pyridin-4-ylthiourea?
The canonical SMILES for 1-cyclopentyl-3-pyridin-4-ylthiourea is S=C(Nc1ccncc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-pyridin-4-ylthiourea?
The InChIKey is WOPGLERDSJKCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c15-11(13-9-3-1-2-4-9)14-10-5-7-12-8-6-10/h5-9H,1-4H2,(H2,12,13,14,15).
What are the key properties of 1-cyclopentyl-3-pyridin-4-ylthiourea?
1-cyclopentyl-3-pyridin-4-ylthiourea has a molecular weight of 221.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-pyridin-4-ylthiourea is sourced from PubChem (CID 19655611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).