1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole

C15H13N3S2 — CID 161214850

IUPAC1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
SMILESCc1nc2ccccc2s1.Nc1nc2ccccc2s1
InChIInChI=1S/C8H7NS.C7H6N2S/c1-6-9-7-4-2-3-5-8(7)10-6;8-7-9-5-3-1-2-4-6(5)10-7/h2-5H,1H3;1-4H,(H2,8,9)
InChIKeyUWSIWTAFBNBWLO-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.48
Rot. Bonds

About 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole

1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole (PubChem CID 161214850) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
PubChem CID161214850
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
SMILESCc1nc2ccccc2s1.Nc1nc2ccccc2s1
InChIInChI=1S/C8H7NS.C7H6N2S/c1-6-9-7-4-2-3-5-8(7)10-6;8-7-9-5-3-1-2-4-6(5)10-7/h2-5H,1H3;1-4H,(H2,8,9)
InChIKeyUWSIWTAFBNBWLO-UHFFFAOYSA-N
XLogP4.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-benzothiazole;urea
CID 161197769
acetic acid;1,3-benzothiazol-2-amine
CID 172786962
2-methyl-1,3-benzothiazole;2-methylpyridine
CID 160647860
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
bis(1,3-benzothiazol-2-amine);phosphoric acid
CID 175581696
zinc;bis(1,3-benzothiazol-2-amine);diacetate
CID 139065802
2-methyl-1,3-benzothiazole;sulfanylurea
CID 175000494
bromomethylbenzene;2-methyl-1,3-benzothiazole
CID 161475855
2-aminobenzenethiol;aniline;1,3-benzothiazol-2-amine
CID 159847568
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 2735376

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole?
The IUPAC name of 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole (CID 161214850) is 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole.
What is the SMILES notation for 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole?
The canonical SMILES for 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole is Cc1nc2ccccc2s1.Nc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole?
The InChIKey is UWSIWTAFBNBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C7H6N2S/c1-6-9-7-4-2-3-5-8(7)10-6;8-7-9-5-3-1-2-4-6(5)10-7/h2-5H,1H3;1-4H,(H2,8,9).
What are the key properties of 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole?
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole has a molecular weight of 299.42 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole is sourced from PubChem (CID 161214850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).