7-chloro-6-methyl-1,3-benzothiazole

C8H6ClNS — CID 67962941

IUPAC7-chloro-6-methyl-1,3-benzothiazole
SMILESCc1ccc2ncsc2c1Cl
InChIInChI=1S/C8H6ClNS/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3
InChIKeyRQDZZMFNJKBNBG-UHFFFAOYSA-N
MW183.66 g/mol
LogP3.26
Rot. Bonds

About 7-chloro-6-methyl-1,3-benzothiazole

7-chloro-6-methyl-1,3-benzothiazole (PubChem CID 67962941) has the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. Its IUPAC name is 7-chloro-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-6-methyl-1,3-benzothiazole
PubChem CID67962941
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Exact Mass182.99
IUPAC Name7-chloro-6-methyl-1,3-benzothiazole
SMILESCc1ccc2ncsc2c1Cl
InChIInChI=1S/C8H6ClNS/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3
InChIKeyRQDZZMFNJKBNBG-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,3-benzothiazole-6-carbaldehyde
CID 166070015
7-chloro-6-(trifluoromethoxy)-1,3-benzothiazole
CID 165175793
thieno[3,2-g][1,3]benzothiazole
CID 45077418
7-methoxy-1,3-benzothiazol-6-amine
CID 45077103
4-chloro-7-methyl-[1,3]thiazolo[4,5-c]pyridine
CID 76850479
7-chloro-6-methyl-1,3-benzoxazole
CID 161041002
1,3-benzothiazol-7-ol
CID 23289256
7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole
CID 123907895
7-(chloromethyl)-1,3-benzothiazole
CID 14096730
N,N-dichloro-1,3-benzothiazol-7-amine
CID 19971386
5-chloro-6-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 154727392
[1,3]thiazolo[5,4-e][2,1]benzoxazole
CID 57349206

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-1,3-benzothiazole?
The IUPAC name of 7-chloro-6-methyl-1,3-benzothiazole (CID 67962941) is 7-chloro-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-6-methyl-1,3-benzothiazole?
The canonical SMILES for 7-chloro-6-methyl-1,3-benzothiazole is Cc1ccc2ncsc2c1Cl.
What is the InChIKey of 7-chloro-6-methyl-1,3-benzothiazole?
The InChIKey is RQDZZMFNJKBNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3.
What are the key properties of 7-chloro-6-methyl-1,3-benzothiazole?
7-chloro-6-methyl-1,3-benzothiazole has a molecular weight of 183.66 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 67962941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).