N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine

C14H15N3OS — CID 78961580

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1noc(C)c1C(C)Nc1nc2ccccc2s1
InChIInChI=1S/C14H15N3OS/c1-8(13-9(2)17-18-10(13)3)15-14-16-11-6-4-5-7-12(11)19-14/h4-8H,1-3H3,(H,15,16)
InChIKeyQGBWCXRTZQWDDE-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 78961580) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID78961580
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1noc(C)c1C(C)Nc1nc2ccccc2s1
InChIInChI=1S/C14H15N3OS/c1-8(13-9(2)17-18-10(13)3)15-14-16-11-6-4-5-7-12(11)19-14/h4-8H,1-3H3,(H,15,16)
InChIKeyQGBWCXRTZQWDDE-UHFFFAOYSA-N
XLogP4.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79242623
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]quinazolin-2-amine
CID 114789182
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 79002925
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 43372307
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 79241805
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
CID 79237569
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine (CID 78961580) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1noc(C)c1C(C)Nc1nc2ccccc2s1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is QGBWCXRTZQWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8(13-9(2)17-18-10(13)3)15-14-16-11-6-4-5-7-12(11)19-14/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78961580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).