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

C9H12N4OS — CID 115924783

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2sc(C)nc2C)o1
InChIInChI=1S/C9H12N4OS/c1-5-8(15-7(3)11-5)4-10-9-13-12-6(2)14-9/h4H2,1-3H3,(H,10,13)
InChIKeyMBGUTLKRRATFPT-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.06
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 115924783) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID115924783
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2sc(C)nc2C)o1
InChIInChI=1S/C9H12N4OS/c1-5-8(15-7(3)11-5)4-10-9-13-12-6(2)14-9/h4H2,1-3H3,(H,10,13)
InChIKeyMBGUTLKRRATFPT-UHFFFAOYSA-N
XLogP2.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 79048062
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 64988262
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine
CID 130616420
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
CID 86805535
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 64540574
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 64539534
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130702623
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 154735469

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 115924783) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2sc(C)nc2C)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MBGUTLKRRATFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5-8(15-7(3)11-5)4-10-9-13-12-6(2)14-9/h4H2,1-3H3,(H,10,13).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 224.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).