5-chloro-4-methyl-1,3-benzothiazol-2-amine

C8H7ClN2S — CID 1180481

IUPAC5-chloro-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)ccc2sc(N)nc12
InChIInChI=1S/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
InChIKeyORCGZHQFPODCCH-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.84
Rot. Bonds

About 5-chloro-4-methyl-1,3-benzothiazol-2-amine

5-chloro-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 1180481) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 5-chloro-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-1,3-benzothiazol-2-amine
PubChem CID1180481
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name5-chloro-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)ccc2sc(N)nc12
InChIInChI=1S/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
InChIKeyORCGZHQFPODCCH-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(1,1-diiodoethyl)-4-methyl-1,3-benzothiazole
CID 71022592
2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
CID 138714330
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
CID 83756288
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825
5-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole
CID 121241130
2-amino-5-methyl-1,3-benzothiazole-4-sulfonic acid
CID 21424583
4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 153383265
4-(aminomethyl)-1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168659751
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
5-chloro-4-methyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549540
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-4-methyl-1,3-benzothiazol-2-amine (CID 1180481) is 5-chloro-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-4-methyl-1,3-benzothiazol-2-amine is Cc1c(Cl)ccc2sc(N)nc12.
What is the InChIKey of 5-chloro-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ORCGZHQFPODCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-5(9)2-3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 5-chloro-4-methyl-1,3-benzothiazol-2-amine?
5-chloro-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 198.68 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 1180481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).