azane;5-methyl-1,3-benzothiazole

C8H10N2S — CID 174920703

IUPACazane;5-methyl-1,3-benzothiazole
SMILESCc1ccc2scnc2c1.N
InChIInChI=1S/C8H7NS.H3N/c1-6-2-3-8-7(4-6)9-5-10-8;/h2-5H,1H3;1H3
InChIKeyNANFBLNQHQJWJZ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.77
Rot. Bonds

About azane;5-methyl-1,3-benzothiazole

azane;5-methyl-1,3-benzothiazole (PubChem CID 174920703) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is azane;5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Nameazane;5-methyl-1,3-benzothiazole
PubChem CID174920703
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Nameazane;5-methyl-1,3-benzothiazole
SMILESCc1ccc2scnc2c1.N
InChIInChI=1S/C8H7NS.H3N/c1-6-2-3-8-7(4-6)9-5-10-8;/h2-5H,1H3;1H3
InChIKeyNANFBLNQHQJWJZ-UHFFFAOYSA-N
XLogP2.77
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-5-ol
CID 3596506
1,3-benzothiazole-5-thiol
CID 14944486
N,N-dimethyl-1,3-benzothiazol-5-amine
CID 22609017
1,3-benzothiazole-5-carbonitrile
CID 10702104
3-(1,3-benzothiazol-5-ylmethyl)-5-methyl-1,2-benzothiazole
CID 90688140
N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
CID 16811077
CID 159840440
CID 159840440
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207
azane;1,3-benzothiazole
CID 68815700
5-pentan-3-yl-1,3-benzothiazole
CID 142928032
5-(difluoromethyl)-1,3-benzothiazole
CID 84660003

Frequently Asked Questions

What is the IUPAC name of azane;5-methyl-1,3-benzothiazole?
The IUPAC name of azane;5-methyl-1,3-benzothiazole (CID 174920703) is azane;5-methyl-1,3-benzothiazole.
What is the SMILES notation for azane;5-methyl-1,3-benzothiazole?
The canonical SMILES for azane;5-methyl-1,3-benzothiazole is Cc1ccc2scnc2c1.N.
What is the InChIKey of azane;5-methyl-1,3-benzothiazole?
The InChIKey is NANFBLNQHQJWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.H3N/c1-6-2-3-8-7(4-6)9-5-10-8;/h2-5H,1H3;1H3.
What are the key properties of azane;5-methyl-1,3-benzothiazole?
azane;5-methyl-1,3-benzothiazole has a molecular weight of 166.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-methyl-1,3-benzothiazole is sourced from PubChem (CID 174920703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).