N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C12H17N5O2S2 — CID 71688170

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(C3CC3)s2)c1C
InChIInChI=1S/C12H17N5O2S2/c1-4-17-8(3)10(7(2)15-17)21(18,19)16-12-14-13-11(20-12)9-5-6-9/h9H,4-6H2,1-3H3,(H,14,16)
InChIKeyHTESRGPAVODNEC-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.05
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 71688170) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID71688170
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(C3CC3)s2)c1C
InChIInChI=1S/C12H17N5O2S2/c1-4-17-8(3)10(7(2)15-17)21(18,19)16-12-14-13-11(20-12)9-5-6-9/h9H,4-6H2,1-3H3,(H,14,16)
InChIKeyHTESRGPAVODNEC-UHFFFAOYSA-N
XLogP2.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 71688170) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2nnc(C3CC3)s2)c1C.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is HTESRGPAVODNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-4-17-8(3)10(7(2)15-17)21(18,19)16-12-14-13-11(20-12)9-5-6-9/h9H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).