5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine

C11H12N6S — CID 103934149

IUPAC5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc2ncc(CNc3nnc(C)s3)cn2n1
InChIInChI=1S/C11H12N6S/c1-7-3-10-12-4-9(6-17(10)16-7)5-13-11-15-14-8(2)18-11/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyXXGVNDHTAVGDLY-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.81
Rot. Bonds3

About 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103934149) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103934149
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc2ncc(CNc3nnc(C)s3)cn2n1
InChIInChI=1S/C11H12N6S/c1-7-3-10-12-4-9(6-17(10)16-7)5-13-11-15-14-8(2)18-11/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyXXGVNDHTAVGDLY-UHFFFAOYSA-N
XLogP1.81
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62405500
2,4,5-trifluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 63783538
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
2,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403520
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
4-methoxy-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline
CID 62403164
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55234828
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
CID 62402815
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
CID 115600931

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103934149) is 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1cc2ncc(CNc3nnc(C)s3)cn2n1.
What is the InChIKey of 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XXGVNDHTAVGDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-7-3-10-12-4-9(6-17(10)16-7)5-13-11-15-14-8(2)18-11/h3-4,6H,5H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 260.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103934149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).