4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide

C12H20N2O3S2 — CID 79350529

IUPAC4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H20N2O3S2/c1-7-9(18-10(15)14-7)19(16,17)13-6-8-11(2,3)12(8,4)5/h8,13H,6H2,1-5H3,(H,14,15)
InChIKeySJXHVVBGTYYBDM-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.71
Rot. Bonds4

About 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide (PubChem CID 79350529) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide
PubChem CID79350529
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H20N2O3S2/c1-7-9(18-10(15)14-7)19(16,17)13-6-8-11(2,3)12(8,4)5/h8,13H,6H2,1-5H3,(H,14,15)
InChIKeySJXHVVBGTYYBDM-UHFFFAOYSA-N
XLogP1.71
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide (CID 79350529) is 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SJXHVVBGTYYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-7-9(18-10(15)14-7)19(16,17)13-6-8-11(2,3)12(8,4)5/h8,13H,6H2,1-5H3,(H,14,15).
What are the key properties of 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79350529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).