7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole

C10H9BrClNS — CID 130063611

IUPAC7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2cc(Cl)cc(Br)c2s1
InChIInChI=1S/C10H9BrClNS/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3
InChIKeyLWRFVHFTZUSKMW-UHFFFAOYSA-N
MW290.61 g/mol
LogP4.84
Rot. Bonds1

About 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole

7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole (PubChem CID 130063611) has the molecular formula C10H9BrClNS and a molecular weight of 290.61 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
PubChem CID130063611
Molecular FormulaC10H9BrClNS
Molecular Weight290.61 g/mol
Exact Mass288.93
IUPAC Name7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2cc(Cl)cc(Br)c2s1
InChIInChI=1S/C10H9BrClNS/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3
InChIKeyLWRFVHFTZUSKMW-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-2-methylbenzothiazole
CID 13873
2-(Bromomethyl)-5-chloro-1,3-benzothiazole
CID 15292313
7-Bromo-2-(chloromethyl)-1,3-benzothiazole
CID 91810940
5-Chloro-2-ethylbenzo[d]thiazole
CID 11287082
7-Bromo-6-fluoro-2-propyl-1,3-benzothiazole
CID 145415195
5-Chloro-7-fluoro-2-methyl-1,3-benzothiazole
CID 130063291
7-Bromo-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063304
5-Chloro-2-ethyl-7-fluoro-1,3-benzothiazole
CID 130063492
7-Bromo-2-ethyl-5-fluoro-1,3-benzothiazole
CID 130063505
5-Chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole
CID 130063585
5-Chloro-7-fluoro-2-propan-2-yl-1,3-benzothiazole
CID 130063587
7-Chloro-5-fluoro-2-propan-2-yl-1,3-benzothiazole
CID 130063590

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole (CID 130063611) is 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole is CC(C)c1nc2cc(Cl)cc(Br)c2s1.
What is the InChIKey of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is LWRFVHFTZUSKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNS/c1-5(2)10-13-8-4-6(12)3-7(11)9(8)14-10/h3-5H,1-2H3.
What are the key properties of 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole?
7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 290.61 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 130063611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).