3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide

C10H14N6O2S2 — CID 106081354

IUPAC3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CNC2CC2)c1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C10H14N6O2S2/c1-6-9(8(14-13-6)4-11-7-2-3-7)20(17,18)16-10-15-12-5-19-10/h5,7,11H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyOWYYRHWWLAONLZ-UHFFFAOYSA-N
MW314.40 g/mol
LogP0.62
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide

3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 106081354) has the molecular formula C10H14N6O2S2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID106081354
Molecular FormulaC10H14N6O2S2
Molecular Weight314.40 g/mol
Exact Mass314.06
IUPAC Name3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CNC2CC2)c1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C10H14N6O2S2/c1-6-9(8(14-13-6)4-11-7-2-3-7)20(17,18)16-10-15-12-5-19-10/h5,7,11H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyOWYYRHWWLAONLZ-UHFFFAOYSA-N
XLogP0.62
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081251
3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106331735
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
3-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 102701655
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410874
3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106084016
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 106081360
5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide
CID 106081244
3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81064006
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106081177
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide (CID 106081354) is 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CNC2CC2)c1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OWYYRHWWLAONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S2/c1-6-9(8(14-13-6)4-11-7-2-3-7)20(17,18)16-10-15-12-5-19-10/h5,7,11H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide?
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 314.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).