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

C12H21ClN2O2S2 — CID 61046078

IUPAC2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H21ClN2O2S2/c1-8-9(18-10(13)14-8)19(16,17)15-12(5,6)7-11(2,3)4/h15H,7H2,1-6H3
InChIKeyXGZVJINPGFUDOD-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.60
Rot. Bonds4

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

2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61046078) has the molecular formula C12H21ClN2O2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61046078
Molecular FormulaC12H21ClN2O2S2
Molecular Weight324.90 g/mol
Exact Mass324.07
IUPAC Name2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H21ClN2O2S2/c1-8-9(18-10(13)14-8)19(16,17)15-12(5,6)7-11(2,3)4/h15H,7H2,1-6H3
InChIKeyXGZVJINPGFUDOD-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-cyclopropylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721164
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 104858839
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 114387374
2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103896643
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43456245
2-chloro-4-methyl-N-piperidin-1-yl-1,3-thiazole-5-sulfonamide
CID 83015078
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117
2-chloro-N-(2-methoxyethoxy)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107856739
2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 54954779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide (CID 61046078) is 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XGZVJINPGFUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2S2/c1-8-9(18-10(13)14-8)19(16,17)15-12(5,6)7-11(2,3)4/h15H,7H2,1-6H3.
What are the key properties of 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 324.90 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).