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

C17H22BrNOS — CID 116734479

IUPAC4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole
SMILESCCOC(c1nc(-c2ccc(Br)cc2)c(C)s1)C(C)(C)C
InChIInChI=1S/C17H22BrNOS/c1-6-20-15(17(3,4)5)16-19-14(11(2)21-16)12-7-9-13(18)10-8-12/h7-10,15H,6H2,1-5H3
InChIKeyWTWSPCHCHVUECX-UHFFFAOYSA-N
MW368.34 g/mol
LogP6.00
Rot. Bonds4

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

4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole (PubChem CID 116734479) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole
PubChem CID116734479
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole
SMILESCCOC(c1nc(-c2ccc(Br)cc2)c(C)s1)C(C)(C)C
InChIInChI=1S/C17H22BrNOS/c1-6-20-15(17(3,4)5)16-19-14(11(2)21-16)12-7-9-13(18)10-8-12/h7-10,15H,6H2,1-5H3
InChIKeyWTWSPCHCHVUECX-UHFFFAOYSA-N
XLogP6.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337687
4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
CID 79839547
4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole
CID 79839551
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837
2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116730876
[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865366
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
CID 79838983
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
ethyl 4-[5-methyl-2-[(1S)-1-(methylamino)ethyl]-1,3-thiazol-4-yl]benzoate
CID 67046755
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 55102196

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole (CID 116734479) is 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole is CCOC(c1nc(-c2ccc(Br)cc2)c(C)s1)C(C)(C)C.
What is the InChIKey of 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole?
The InChIKey is WTWSPCHCHVUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-6-20-15(17(3,4)5)16-19-14(11(2)21-16)12-7-9-13(18)10-8-12/h7-10,15H,6H2,1-5H3.
What are the key properties of 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole?
4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole has a molecular weight of 368.34 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 116734479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).