4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole

C15H18BrNS2 — CID 79839547

IUPAC4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
SMILESCc1sc(CSCC(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNS2/c1-10(2)8-18-9-14-17-15(11(3)19-14)12-4-6-13(16)7-5-12/h4-7,10H,8-9H2,1-3H3
InChIKeyWUUKDSUKLCRSMO-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.77
Rot. Bonds5

About 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole

4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole (PubChem CID 79839547) has the molecular formula C15H18BrNS2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
PubChem CID79839547
Molecular FormulaC15H18BrNS2
Molecular Weight356.35 g/mol
Exact Mass355.01
IUPAC Name4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
SMILESCc1sc(CSCC(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNS2/c1-10(2)8-18-9-14-17-15(11(3)19-14)12-4-6-13(16)7-5-12/h4-7,10H,8-9H2,1-3H3
InChIKeyWUUKDSUKLCRSMO-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole (CID 79839547) is 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole is Cc1sc(CSCC(C)C)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
The InChIKey is WUUKDSUKLCRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS2/c1-10(2)8-18-9-14-17-15(11(3)19-14)12-4-6-13(16)7-5-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole has a molecular weight of 356.35 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 79839547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).