7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine

C15H10Br2ClN3S2 — CID 157181305

IUPAC7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cccc(Br)c2s1.Clc1nc2cccc(Br)c2s1
InChIInChI=1S/C8H7BrN2S.C7H3BrClNS/c1-10-8-11-6-4-2-3-5(9)7(6)12-8;8-4-2-1-3-5-6(4)11-7(9)10-5/h2-4H,1H3,(H,10,11);1-3H
InChIKeyAOPGMUUAWSHKNW-UHFFFAOYSA-N
MW491.66 g/mol
LogP6.81
Rot. Bonds1

About 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine

7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 157181305) has the molecular formula C15H10Br2ClN3S2 and a molecular weight of 491.66 g/mol. Its IUPAC name is 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine
PubChem CID157181305
Molecular FormulaC15H10Br2ClN3S2
Molecular Weight491.66 g/mol
Exact Mass488.84
IUPAC Name7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cccc(Br)c2s1.Clc1nc2cccc(Br)c2s1
InChIInChI=1S/C8H7BrN2S.C7H3BrClNS/c1-10-8-11-6-4-2-3-5(9)7(6)12-8;8-4-2-1-3-5-6(4)11-7(9)10-5/h2-4H,1H3,(H,10,11);1-3H
InChIKeyAOPGMUUAWSHKNW-UHFFFAOYSA-N
XLogP6.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
7-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 163988117
7-bromo-2-chloro-[1,3]thiazolo[4,5-c]pyridine
CID 133080891
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503
3-(7-bromo-1,3-benzothiazol-2-yl)propanal
CID 174833428
6-bromo-N,5-dimethyl-1,3-benzothiazol-2-amine
CID 82549197
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
2-bromo-1,3-benzothiazol-7-ol
CID 91798978
5-bromo-4-chloro-2-fluoroquinazoline
CID 90968400

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine (CID 157181305) is 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2cccc(Br)c2s1.Clc1nc2cccc(Br)c2s1.
What is the InChIKey of 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is AOPGMUUAWSHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S.C7H3BrClNS/c1-10-8-11-6-4-2-3-5(9)7(6)12-8;8-4-2-1-3-5-6(4)11-7(9)10-5/h2-4H,1H3,(H,10,11);1-3H.
What are the key properties of 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine?
7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 491.66 g/mol, XLogP of 6.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 157181305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).