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

C8H13ClN2O2S2 — CID 43415405

IUPAC2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C8H13ClN2O2S2/c1-5(2)4-10-15(12,13)7-6(3)11-8(9)14-7/h5,10H,4H2,1-3H3
InChIKeyKYCQRBQANXNARH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.04
Rot. Bonds4

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

2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43415405) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID43415405
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C8H13ClN2O2S2/c1-5(2)4-10-15(12,13)7-6(3)11-8(9)14-7/h5,10H,4H2,1-3H3
InChIKeyKYCQRBQANXNARH-UHFFFAOYSA-N
XLogP2.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide (CID 43415405) is 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KYCQRBQANXNARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-5(2)4-10-15(12,13)7-6(3)11-8(9)14-7/h5,10H,4H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 268.79 g/mol, XLogP of 2.04, 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-methylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).