1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea

C16H17BrN2OS — CID 100765827

IUPAC1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea
SMILESS=C(Nc1cccc(Br)c1)NC1(c2ccco2)CCCC1
InChIInChI=1S/C16H17BrN2OS/c17-12-5-3-6-13(11-12)18-15(21)19-16(8-1-2-9-16)14-7-4-10-20-14/h3-7,10-11H,1-2,8-9H2,(H2,18,19,21)
InChIKeyWGJPKOOYWSHHNJ-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.80
Rot. Bonds3

About 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea

1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea (PubChem CID 100765827) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea
PubChem CID100765827
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea
SMILESS=C(Nc1cccc(Br)c1)NC1(c2ccco2)CCCC1
InChIInChI=1S/C16H17BrN2OS/c17-12-5-3-6-13(11-12)18-15(21)19-16(8-1-2-9-16)14-7-4-10-20-14/h3-7,10-11H,1-2,8-9H2,(H2,18,19,21)
InChIKeyWGJPKOOYWSHHNJ-UHFFFAOYSA-N
XLogP4.80
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.80
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-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100769202
1-[4-(cyanomethyl)phenyl]-3-[1-(furan-2-yl)cyclopentyl]thiourea
CID 100767625
methyl 3-[[1-(furan-2-yl)cyclopentyl]carbamothioylamino]-4-methylbenzoate
CID 100768414
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765866
1-(4-bromophenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100765878
1-(3-bromophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 9235877
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
1-[1-(2-chlorophenyl)cyclopentyl]-3-(3-fluorophenyl)thiourea
CID 100768085
1-N'-(3-bromophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974696
1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
1-(3-bromophenyl)-3-(2,6-dimethylphenyl)thiourea
CID 9234877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea (CID 100765827) is 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea is S=C(Nc1cccc(Br)c1)NC1(c2ccco2)CCCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea?
The InChIKey is WGJPKOOYWSHHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c17-12-5-3-6-13(11-12)18-15(21)19-16(8-1-2-9-16)14-7-4-10-20-14/h3-7,10-11H,1-2,8-9H2,(H2,18,19,21).
What are the key properties of 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea?
1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea has a molecular weight of 365.30 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea is sourced from PubChem (CID 100765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).