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

C10H13N5S — CID 65276713

IUPAC3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCn1cc(CNc2nc(C3CC3)ns2)cn1
InChIInChI=1S/C10H13N5S/c1-15-6-7(5-12-15)4-11-10-13-9(14-16-10)8-2-3-8/h5-6,8H,2-4H2,1H3,(H,11,13,14)
InChIKeyQDFRXENDKFMDDV-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.76
Rot. Bonds4

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

3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276713) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276713
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCn1cc(CNc2nc(C3CC3)ns2)cn1
InChIInChI=1S/C10H13N5S/c1-15-6-7(5-12-15)4-11-10-13-9(14-16-10)8-2-3-8/h5-6,8H,2-4H2,1H3,(H,11,13,14)
InChIKeyQDFRXENDKFMDDV-UHFFFAOYSA-N
XLogP1.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 166244061
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 138045166
3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335358
3-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 75484718
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62962265
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65274563
[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 127417891
3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 166196124
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133358213
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65276713) is 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is Cn1cc(CNc2nc(C3CC3)ns2)cn1.
What is the InChIKey of 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QDFRXENDKFMDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15-6-7(5-12-15)4-11-10-13-9(14-16-10)8-2-3-8/h5-6,8H,2-4H2,1H3,(H,11,13,14).
What are the key properties of 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 235.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).