2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole

C15H10Cl2N2S2 — CID 23179407

IUPAC2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(Cl)ccc2s1.Clc1nc2ccccc2s1
InChIInChI=1S/C8H6ClNS.C7H4ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5;8-7-9-5-3-1-2-4-6(5)10-7/h2-4H,1H3;1-4H
InChIKeyDNNCAZUCPXTWLU-UHFFFAOYSA-N
MW353.30 g/mol
LogP6.21
Rot. Bonds

About 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole

2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole (PubChem CID 23179407) has the molecular formula C15H10Cl2N2S2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
PubChem CID23179407
Molecular FormulaC15H10Cl2N2S2
Molecular Weight353.30 g/mol
Exact Mass351.97
IUPAC Name2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(Cl)ccc2s1.Clc1nc2ccccc2s1
InChIInChI=1S/C8H6ClNS.C7H4ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5;8-7-9-5-3-1-2-4-6(5)10-7/h2-4H,1H3;1-4H
InChIKeyDNNCAZUCPXTWLU-UHFFFAOYSA-N
XLogP6.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.30
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5-chloro-2-methyl-3H-1,2-benzothiazole;2-methyl-1,3-benzothiazole
CID 157424688
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
2-methyl-1,3-benzothiazole;urea
CID 161197769
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
2-methyl-1,3-benzothiazole;2-methylpyridine
CID 160647860
bromomethylbenzene;2-methyl-1,3-benzothiazole
CID 161475855
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255
2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
CID 126195133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole?
The IUPAC name of 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole (CID 23179407) is 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole?
The canonical SMILES for 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole is Cc1nc2cc(Cl)ccc2s1.Clc1nc2ccccc2s1.
What is the InChIKey of 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole?
The InChIKey is DNNCAZUCPXTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS.C7H4ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5;8-7-9-5-3-1-2-4-6(5)10-7/h2-4H,1H3;1-4H.
What are the key properties of 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole?
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole has a molecular weight of 353.30 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 23179407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).