3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile

C7H6N6OS — CID 106412732

IUPAC3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCc1ncon1
InChIInChI=1S/C7H6N6OS/c8-1-4-6(9)13-15-7(4)10-2-5-11-3-14-12-5/h3,10H,2H2,(H2,9,13)
InChIKeyMSXAKPMTHYGJAJ-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.59
Rot. Bonds3

About 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 106412732) has the molecular formula C7H6N6OS and a molecular weight of 222.23 g/mol. Its IUPAC name is 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID106412732
Molecular FormulaC7H6N6OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCc1ncon1
InChIInChI=1S/C7H6N6OS/c8-1-4-6(9)13-15-7(4)10-2-5-11-3-14-12-5/h3,10H,2H2,(H2,9,13)
InChIKeyMSXAKPMTHYGJAJ-UHFFFAOYSA-N
XLogP0.59
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412715
4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
CID 106412944
3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383830
3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 103378439
3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 103383493
3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383582
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526
3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
CID 103383141
5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398864
3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 81173430
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile (CID 106412732) is 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCc1ncon1.
What is the InChIKey of 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is MSXAKPMTHYGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6OS/c8-1-4-6(9)13-15-7(4)10-2-5-11-3-14-12-5/h3,10H,2H2,(H2,9,13).
What are the key properties of 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 222.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 106412732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).