1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide

C12H19N5O2S2 — CID 71974663

IUPAC1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(C(C)C)s2)c1C
InChIInChI=1S/C12H19N5O2S2/c1-6-17-9(5)10(8(4)15-17)21(18,19)16-12-14-13-11(20-12)7(2)3/h7H,6H2,1-5H3,(H,14,16)
InChIKeyZPWSDVLBVQOZMM-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.30
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 71974663) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID71974663
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(C(C)C)s2)c1C
InChIInChI=1S/C12H19N5O2S2/c1-6-17-9(5)10(8(4)15-17)21(18,19)16-12-14-13-11(20-12)7(2)3/h7H,6H2,1-5H3,(H,14,16)
InChIKeyZPWSDVLBVQOZMM-UHFFFAOYSA-N
XLogP2.30
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (CID 71974663) is 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2nnc(C(C)C)s2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZPWSDVLBVQOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-6-17-9(5)10(8(4)15-17)21(18,19)16-12-14-13-11(20-12)7(2)3/h7H,6H2,1-5H3,(H,14,16).
What are the key properties of 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71974663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).