2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

C10H14N4OS — CID 63022370

IUPAC2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cscn2)o1
InChIInChI=1S/C10H14N4OS/c1-10(2,3)12-4-8-13-14-9(15-8)7-5-16-6-11-7/h5-6,12H,4H2,1-3H3
InChIKeyIAJSSPDJFMLRIY-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 63022370) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID63022370
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cscn2)o1
InChIInChI=1S/C10H14N4OS/c1-10(2,3)12-4-8-13-14-9(15-8)7-5-16-6-11-7/h5-6,12H,4H2,1-3H3
InChIKeyIAJSSPDJFMLRIY-UHFFFAOYSA-N
XLogP2.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63022883
N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138147
N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 81124831
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114021767
2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 114771755
N-[[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114375442
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138711
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63023235
N-[[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137776
N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137964
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 63022370) is 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(-c2cscn2)o1.
What is the InChIKey of 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is IAJSSPDJFMLRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-10(2,3)12-4-8-13-14-9(15-8)7-5-16-6-11-7/h5-6,12H,4H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 238.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63022370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).