3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide

C10H15N5O2S2 — CID 55013803

IUPAC3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2cscn2)c(N)n1
InChIInChI=1S/C10H15N5O2S2/c1-3-15-5-9(10(11)13-15)19(16,17)14(2)4-8-6-18-7-12-8/h5-7H,3-4H2,1-2H3,(H2,11,13)
InChIKeyPKIWELHLDYLAFO-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 55013803) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
PubChem CID55013803
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2cscn2)c(N)n1
InChIInChI=1S/C10H15N5O2S2/c1-3-15-5-9(10(11)13-15)19(16,17)14(2)4-8-6-18-7-12-8/h5-7H,3-4H2,1-2H3,(H2,11,13)
InChIKeyPKIWELHLDYLAFO-UHFFFAOYSA-N
XLogP0.76
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide (CID 55013803) is 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)Cc2cscn2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is PKIWELHLDYLAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-3-15-5-9(10(11)13-15)19(16,17)14(2)4-8-6-18-7-12-8/h5-7H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55013803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).