N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

C8H11N5S — CID 105104228

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1cnsn1
InChIInChI=1S/C8H11N5S/c1-9-8(7-4-11-14-12-7)6-3-10-13(2)5-6/h3-5,8-9H,1-2H3
InChIKeyBHFAHSUACPWBSI-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.58
Rot. Bonds3

About N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105104228) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105104228
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1cnsn1
InChIInChI=1S/C8H11N5S/c1-9-8(7-4-11-14-12-7)6-3-10-13(2)5-6/h3-5,8-9H,1-2H3
InChIKeyBHFAHSUACPWBSI-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 79713609
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61332350
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61330942
1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 106653201
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
CID 115288107
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
1-(3,5-dibromo-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 113398604
[(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228610
N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105148825

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105104228) is N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1cnn(C)c1)c1cnsn1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is BHFAHSUACPWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-9-8(7-4-11-14-12-7)6-3-10-13(2)5-6/h3-5,8-9H,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 209.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105104228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).