1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

C12H18N4O2S2 — CID 75510351

IUPAC1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C12H18N4O2S2/c1-7(2)10-6-13-12(19-10)15-20(17,18)11-8(3)14-16(5)9(11)4/h6-7H,1-5H3,(H,13,15)
InChIKeyPCYCZBAFUJQDOI-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.42
Rot. Bonds4

About 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 75510351) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID75510351
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C12H18N4O2S2/c1-7(2)10-6-13-12(19-10)15-20(17,18)11-8(3)14-16(5)9(11)4/h6-7H,1-5H3,(H,13,15)
InChIKeyPCYCZBAFUJQDOI-UHFFFAOYSA-N
XLogP2.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (CID 75510351) is 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is PCYCZBAFUJQDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-7(2)10-6-13-12(19-10)15-20(17,18)11-8(3)14-16(5)9(11)4/h6-7H,1-5H3,(H,13,15).
What are the key properties of 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75510351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).