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

C10H16N6O2S2 — CID 106081244

IUPAC5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2nncs2)c1CNC(C)C
InChIInChI=1S/C10H16N6O2S2/c1-6(2)11-4-8-7(3)13-14-9(8)20(17,18)16-10-15-12-5-19-10/h5-6,11H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyNDDIODGHVJEFMS-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.87
Rot. Bonds6

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

5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide (PubChem CID 106081244) has the molecular formula C10H16N6O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide
PubChem CID106081244
Molecular FormulaC10H16N6O2S2
Molecular Weight316.41 g/mol
Exact Mass316.08
IUPAC Name5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2nncs2)c1CNC(C)C
InChIInChI=1S/C10H16N6O2S2/c1-6(2)11-4-8-7(3)13-14-9(8)20(17,18)16-10-15-12-5-19-10/h5-6,11H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyNDDIODGHVJEFMS-UHFFFAOYSA-N
XLogP0.87
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-difluoroethyl)-5-methyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-3-sulfonamide
CID 115409187
5-methyl-4-[(propan-2-ylamino)methyl]-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106016083
5-methyl-4-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106086341
5-methyl-4-[(propan-2-ylamino)methyl]-N-(thian-3-yl)-1H-pyrazole-3-sulfonamide
CID 106081527
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
1-ethyl-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081278
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 106081354
5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106082971
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081043
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide (CID 106081244) is 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)Nc2nncs2)c1CNC(C)C.
What is the InChIKey of 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide?
The InChIKey is NDDIODGHVJEFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S2/c1-6(2)11-4-8-7(3)13-14-9(8)20(17,18)16-10-15-12-5-19-10/h5-6,11H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide?
5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide has a molecular weight of 316.41 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106081244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).