2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine

C13H14N4OS — CID 47155576

IUPAC2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCc1noc(C(C)Nc2ccc3nc(C)sc3c2)n1
InChIInChI=1S/C13H14N4OS/c1-7(13-15-8(2)17-18-13)14-10-4-5-11-12(6-10)19-9(3)16-11/h4-7,14H,1-3H3
InChIKeyWFKVZKRKPZTNHS-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine

2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 47155576) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID47155576
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCc1noc(C(C)Nc2ccc3nc(C)sc3c2)n1
InChIInChI=1S/C13H14N4OS/c1-7(13-15-8(2)17-18-13)14-10-4-5-11-12(6-10)19-9(3)16-11/h4-7,14H,1-3H3
InChIKeyWFKVZKRKPZTNHS-UHFFFAOYSA-N
XLogP3.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 47027516
N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 124735773
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine (CID 47155576) is 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine is Cc1noc(C(C)Nc2ccc3nc(C)sc3c2)n1.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is WFKVZKRKPZTNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-7(13-15-8(2)17-18-13)14-10-4-5-11-12(6-10)19-9(3)16-11/h4-7,14H,1-3H3.
What are the key properties of 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine?
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 274.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 47155576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).