2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide

C11H13ClN2O3S2 — CID 61051232

IUPAC2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2sc(Cl)nc2C)o1
InChIInChI=1S/C11H13ClN2O3S2/c1-6-4-5-9(17-6)7(2)14-19(15,16)10-8(3)13-11(12)18-10/h4-5,7,14H,1-3H3
InChIKeyBHNBQHGDASFPMU-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61051232) has the molecular formula C11H13ClN2O3S2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID61051232
Molecular FormulaC11H13ClN2O3S2
Molecular Weight320.82 g/mol
Exact Mass320.01
IUPAC Name2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2sc(Cl)nc2C)o1
InChIInChI=1S/C11H13ClN2O3S2/c1-6-4-5-9(17-6)7(2)14-19(15,16)10-8(3)13-11(12)18-10/h4-5,7,14H,1-3H3
InChIKeyBHNBQHGDASFPMU-UHFFFAOYSA-N
XLogP3.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide (CID 61051232) is 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2sc(Cl)nc2C)o1.
What is the InChIKey of 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is BHNBQHGDASFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S2/c1-6-4-5-9(17-6)7(2)14-19(15,16)10-8(3)13-11(12)18-10/h4-5,7,14H,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 320.82 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).