1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea

C19H21FN2OS — CID 100763441

IUPAC1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea
SMILESFc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H21FN2OS/c20-18-8-4-1-5-14(18)13-21-19(24)22-15-9-11-17(12-10-15)23-16-6-2-3-7-16/h1,4-5,8-12,16H,2-3,6-7,13H2,(H2,21,22,24)
InChIKeyYUIPQZFDPOAWJR-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.63
Rot. Bonds5

About 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea

1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea (PubChem CID 100763441) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea
PubChem CID100763441
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea
SMILESFc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H21FN2OS/c20-18-8-4-1-5-14(18)13-21-19(24)22-15-9-11-17(12-10-15)23-16-6-2-3-7-16/h1,4-5,8-12,16H,2-3,6-7,13H2,(H2,21,22,24)
InChIKeyYUIPQZFDPOAWJR-UHFFFAOYSA-N
XLogP4.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.63
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-(4-cyclopentyloxyphenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100711861
1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 100763171
1-(4-cyclopentyloxyphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636414
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304
1-[(2-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100763318
1-(4-cyclopentyloxyphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 94003652
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
1-(4-cyclopentyloxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133179125
1-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 8749644
1-[(2-fluorophenyl)methyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100763294
1-(4-cyclopentyloxyphenyl)-3-(3-propan-2-yloxypropyl)thiourea
CID 100608002
1-[4-(difluoromethoxy)phenyl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea
CID 8562880

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea (CID 100763441) is 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea is Fc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea?
The InChIKey is YUIPQZFDPOAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-18-8-4-1-5-14(18)13-21-19(24)22-15-9-11-17(12-10-15)23-16-6-2-3-7-16/h1,4-5,8-12,16H,2-3,6-7,13H2,(H2,21,22,24).
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea?
1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea has a molecular weight of 344.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea is sourced from PubChem (CID 100763441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).