1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C14H18N6O2S — CID 97436789

IUPAC1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCc3noc([C@H]4CCCO4)n3)sc12
InChIInChI=1S/C14H18N6O2S/c1-8-11-12(20(2)18-8)17-14(23-11)15-6-5-10-16-13(22-19-10)9-4-3-7-21-9/h9H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyRILGCMDJNYVGMU-SECBINFHSA-N
MW334.41 g/mol
LogP2.23
Rot. Bonds5

About 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97436789) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97436789
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCc3noc([C@H]4CCCO4)n3)sc12
InChIInChI=1S/C14H18N6O2S/c1-8-11-12(20(2)18-8)17-14(23-11)15-6-5-10-16-13(22-19-10)9-4-3-7-21-9/h9H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyRILGCMDJNYVGMU-SECBINFHSA-N
XLogP2.23
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97200942
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138382185
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 125164554
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72885641
4-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72940735
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799
1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97444472
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]ethyl]piperidine-3-carboxamide
CID 72871250
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97436789) is 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCCc3noc([C@H]4CCCO4)n3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is RILGCMDJNYVGMU-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-8-11-12(20(2)18-8)17-14(23-11)15-6-5-10-16-13(22-19-10)9-4-3-7-21-9/h9H,3-7H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 334.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97436789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).