2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

C15H16BrN5S2 — CID 18129212

IUPAC2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCC(C)Cn1nnnc1SCc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H16BrN5S2/c1-10(2)7-21-15(18-19-20-21)23-9-13-8-22-14(17-13)11-4-3-5-12(16)6-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyJTZFABYOXZTCDB-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.51
Rot. Bonds6

About 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 18129212) has the molecular formula C15H16BrN5S2 and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID18129212
Molecular FormulaC15H16BrN5S2
Molecular Weight410.37 g/mol
Exact Mass409.00
IUPAC Name2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCC(C)Cn1nnnc1SCc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H16BrN5S2/c1-10(2)7-21-15(18-19-20-21)23-9-13-8-22-14(17-13)11-4-3-5-12(16)6-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyJTZFABYOXZTCDB-UHFFFAOYSA-N
XLogP4.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-bromophenyl)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 8723529
2-(3-bromophenyl)-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 16542348
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
4-[[5-[1-(4-bromophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 19637909
4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7674118
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
4-[[5-(5-bromofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methylphenyl)-1,3-thiazole
CID 19725275
4-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 7878128
2-(4-ethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 8565023

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 18129212) is 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is CC(C)Cn1nnnc1SCc1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is JTZFABYOXZTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5S2/c1-10(2)7-21-15(18-19-20-21)23-9-13-8-22-14(17-13)11-4-3-5-12(16)6-11/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 410.37 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 18129212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).