4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole

C15H16BrNS2 — CID 79832741

IUPAC4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
SMILESBrc1ccccc1-c1csc(CSC2CCCC2)n1
InChIInChI=1S/C15H16BrNS2/c16-13-8-4-3-7-12(13)14-9-19-15(17-14)10-18-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyUFRRSFANJIONLO-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.75
Rot. Bonds4

About 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole

4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole (PubChem CID 79832741) has the molecular formula C15H16BrNS2 and a molecular weight of 354.34 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
PubChem CID79832741
Molecular FormulaC15H16BrNS2
Molecular Weight354.34 g/mol
Exact Mass352.99
IUPAC Name4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
SMILESBrc1ccccc1-c1csc(CSC2CCCC2)n1
InChIInChI=1S/C15H16BrNS2/c16-13-8-4-3-7-12(13)14-9-19-15(17-14)10-18-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyUFRRSFANJIONLO-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-5-methyl-1,3-thiazole
CID 79839949
4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole
CID 79831061
4-(2-bromophenyl)-2-cyclooctyl-1,3-thiazole
CID 80611391
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 116968369
[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
CID 65144067
N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 116968382
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965664
1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116969230
4-(2-bromophenyl)-2-(4-ethylcyclohexyl)-1,3-thiazole
CID 79831597
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]cyclobutane-1-carbonitrile
CID 116865572
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole (CID 79832741) is 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole is Brc1ccccc1-c1csc(CSC2CCCC2)n1.
What is the InChIKey of 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole?
The InChIKey is UFRRSFANJIONLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS2/c16-13-8-4-3-7-12(13)14-9-19-15(17-14)10-18-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2.
What are the key properties of 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole?
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole has a molecular weight of 354.34 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 79832741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).