4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine

C12H10N4OS — CID 28907890

IUPAC4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1sc(-c2nonc2N)nc1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c1-7-9(8-5-3-2-4-6-8)14-12(18-7)10-11(13)16-17-15-10/h2-6H,1H3,(H2,13,16)
InChIKeyPMQMBZPLYGRJSI-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.75
Rot. Bonds2

About 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 28907890) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID28907890
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1sc(-c2nonc2N)nc1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c1-7-9(8-5-3-2-4-6-8)14-12(18-7)10-11(13)16-17-15-10/h2-6H,1H3,(H2,13,16)
InChIKeyPMQMBZPLYGRJSI-UHFFFAOYSA-N
XLogP2.75
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2,5-oxadiazol-3-amine
CID 114353319
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole
CID 59871677
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 60707088
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041
5-methyl-4-phenyl-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazole
CID 167071781
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 28907890) is 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine is Cc1sc(-c2nonc2N)nc1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is PMQMBZPLYGRJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-9(8-5-3-2-4-6-8)14-12(18-7)10-11(13)16-17-15-10/h2-6H,1H3,(H2,13,16).
What are the key properties of 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 258.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 28907890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).