2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide

C10H13ClN4O2S2 — CID 60744580

IUPAC2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C10H13ClN4O2S2/c1-5-8(7(3)15(4)13-5)14-19(16,17)9-6(2)12-10(11)18-9/h14H,1-4H3
InChIKeyUDIGAXSZNVXNDR-UHFFFAOYSA-N
MW320.83 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 60744580) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID60744580
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC Name2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C10H13ClN4O2S2/c1-5-8(7(3)15(4)13-5)14-19(16,17)9-6(2)12-10(11)18-9/h14H,1-4H3
InChIKeyUDIGAXSZNVXNDR-UHFFFAOYSA-N
XLogP2.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide (CID 60744580) is 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UDIGAXSZNVXNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c1-5-8(7(3)15(4)13-5)14-19(16,17)9-6(2)12-10(11)18-9/h14H,1-4H3.
What are the key properties of 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60744580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).