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

C8H11N5S — CID 80608004

IUPACN-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2cc(C)cn2)s1
InChIInChI=1S/C8H11N5S/c1-6-3-10-13(4-6)5-7-11-12-8(9-2)14-7/h3-4H,5H2,1-2H3,(H,9,12)
InChIKeyMHPTVTNOKRECEU-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.13
Rot. Bonds3

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

N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608004) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608004
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cn2cc(C)cn2)s1
InChIInChI=1S/C8H11N5S/c1-6-3-10-13(4-6)5-7-11-12-8(9-2)14-7/h3-4H,5H2,1-2H3,(H,9,12)
InChIKeyMHPTVTNOKRECEU-UHFFFAOYSA-N
XLogP1.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80608004) is N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(Cn2cc(C)cn2)s1.
What is the InChIKey of N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MHPTVTNOKRECEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6-3-10-13(4-6)5-7-11-12-8(9-2)14-7/h3-4H,5H2,1-2H3,(H,9,12).
What are the key properties of N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).