5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

C7H8N4OS — CID 106418955

IUPAC5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccno2)s1
InChIInChI=1S/C7H8N4OS/c1-5-10-11-7(13-5)8-4-6-2-3-9-12-6/h2-3H,4H2,1H3,(H,8,11)
InChIKeyBWIHSFRGEDLCMG-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.45
Rot. Bonds3

About 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106418955) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106418955
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccno2)s1
InChIInChI=1S/C7H8N4OS/c1-5-10-11-7(13-5)8-4-6-2-3-9-12-6/h2-3H,4H2,1H3,(H,8,11)
InChIKeyBWIHSFRGEDLCMG-UHFFFAOYSA-N
XLogP1.45
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103934147
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 113354595
N-(1-benzofuran-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 113240485
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924966
N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103110802
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79003136
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106418985
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 106418955) is 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccno2)s1.
What is the InChIKey of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BWIHSFRGEDLCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-5-10-11-7(13-5)8-4-6-2-3-9-12-6/h2-3H,4H2,1H3,(H,8,11).
What are the key properties of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 196.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106418955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).