4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole

C10H9BrClNS2 — CID 116968611

IUPAC4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole
SMILESClCCCc1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C10H9BrClNS2/c11-7-4-9(14-5-7)8-6-15-10(13-8)2-1-3-12/h4-6H,1-3H2
InChIKeyGBSTVMZDERHFOL-UHFFFAOYSA-N
MW322.68 g/mol
LogP4.81
Rot. Bonds4

About 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole

4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole (PubChem CID 116968611) has the molecular formula C10H9BrClNS2 and a molecular weight of 322.68 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole
PubChem CID116968611
Molecular FormulaC10H9BrClNS2
Molecular Weight322.68 g/mol
Exact Mass320.90
IUPAC Name4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole
SMILESClCCCc1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C10H9BrClNS2/c11-7-4-9(14-5-7)8-6-15-10(13-8)2-1-3-12/h4-6H,1-3H2
InChIKeyGBSTVMZDERHFOL-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.68
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969864
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclobutane-1-carbonitrile
CID 116969424
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
CID 136849095
2-(4-bromothiophen-2-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51136003
2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5207559

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole (CID 116968611) is 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole is ClCCCc1nc(-c2cc(Br)cs2)cs1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole?
The InChIKey is GBSTVMZDERHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNS2/c11-7-4-9(14-5-7)8-6-15-10(13-8)2-1-3-12/h4-6H,1-3H2.
What are the key properties of 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole?
4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole has a molecular weight of 322.68 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole is sourced from PubChem (CID 116968611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).