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

C8H10N4OS — CID 130678172

IUPAC5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1nc(NCc2csc(C)n2)no1
InChIInChI=1S/C8H10N4OS/c1-5-10-8(12-13-5)9-3-7-4-14-6(2)11-7/h4H,3H2,1-2H3,(H,9,12)
InChIKeyWEGLOTNHMQPRKK-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.76
Rot. Bonds3

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

5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 130678172) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID130678172
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1nc(NCc2csc(C)n2)no1
InChIInChI=1S/C8H10N4OS/c1-5-10-8(12-13-5)9-3-7-4-14-6(2)11-7/h4H,3H2,1-2H3,(H,9,12)
InChIKeyWEGLOTNHMQPRKK-UHFFFAOYSA-N
XLogP1.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43704886
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
2-N-ethyl-6-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807956
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine (CID 130678172) is 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine is Cc1nc(NCc2csc(C)n2)no1.
What is the InChIKey of 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is WEGLOTNHMQPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-10-8(12-13-5)9-3-7-4-14-6(2)11-7/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine?
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 210.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 130678172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).