5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine

C12H11N3OS2 — CID 43969097

IUPAC5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine
SMILESCSc1cccc2sc(Nc3cc(C)on3)nc12
InChIInChI=1S/C12H11N3OS2/c1-7-6-10(15-16-7)13-12-14-11-8(17-2)4-3-5-9(11)18-12/h3-6H,1-2H3,(H,13,14,15)
InChIKeyNMGVKLXPKSSXAX-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds3

About 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine

5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine (PubChem CID 43969097) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine
PubChem CID43969097
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine
SMILESCSc1cccc2sc(Nc3cc(C)on3)nc12
InChIInChI=1S/C12H11N3OS2/c1-7-6-10(15-16-7)13-12-14-11-8(17-2)4-3-5-9(11)18-12/h3-6H,1-2H3,(H,13,14,15)
InChIKeyNMGVKLXPKSSXAX-UHFFFAOYSA-N
XLogP4.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-methylsulfanyl-1,3-benzothiazole
CID 70371093
1-(3,5-dimethylphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081214
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-1,3-benzothiazol-2-amine
CID 8544687
2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-sulfonamide
CID 7512999
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acenaphthyleno[1,2-d][1,3]thiazol-8-amine
CID 43969044
5-(3,5-dimethoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 8545174
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615215
N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine
CID 141408571
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine (CID 43969097) is 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine is CSc1cccc2sc(Nc3cc(C)on3)nc12.
What is the InChIKey of 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine?
The InChIKey is NMGVKLXPKSSXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-7-6-10(15-16-7)13-12-14-11-8(17-2)4-3-5-9(11)18-12/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine?
5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 43969097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).