N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C10H15N5OS — CID 113354600

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1c(CNc2nnc(C)s2)c(C)nn1C
InChIInChI=1S/C10H15N5OS/c1-6-8(9(16-4)15(3)14-6)5-11-10-13-12-7(2)17-10/h5H2,1-4H3,(H,11,13)
InChIKeyMJJIXPLLNUUDSW-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.51
Rot. Bonds4

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 113354600) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID113354600
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1c(CNc2nnc(C)s2)c(C)nn1C
InChIInChI=1S/C10H15N5OS/c1-6-8(9(16-4)15(3)14-6)5-11-10-13-12-7(2)17-10/h5H2,1-4H3,(H,11,13)
InChIKeyMJJIXPLLNUUDSW-UHFFFAOYSA-N
XLogP1.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
6-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 86791062
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
6-bromo-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599966
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 113354600) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is COc1c(CNc2nnc(C)s2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MJJIXPLLNUUDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6-8(9(16-4)15(3)14-6)5-11-10-13-12-7(2)17-10/h5H2,1-4H3,(H,11,13).
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113354600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).