N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

C8H13ClN2O2S2 — CID 43456062

IUPACN-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H13ClN2O2S2/c1-5-6(14-7(9)10-5)15(12,13)11-8(2,3)4/h11H,1-4H3
InChIKeyBVKWBKRZZNUVKW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.18
Rot. Bonds2

About N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456062) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43456062
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC NameN-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H13ClN2O2S2/c1-5-6(14-7(9)10-5)15(12,13)11-8(2,3)4/h11H,1-4H3
InChIKeyBVKWBKRZZNUVKW-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (CID 43456062) is N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is BVKWBKRZZNUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-5-6(14-7(9)10-5)15(12,13)11-8(2,3)4/h11H,1-4H3.
What are the key properties of N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 268.79 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).