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

C11H14ClN3O3S2 — CID 79236641

IUPAC2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C11H14ClN3O3S2/c1-5-9(8(4)18-14-5)6(2)15-20(16,17)10-7(3)13-11(12)19-10/h6,15H,1-4H3
InChIKeyYGDZIMWKXDFUCV-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.75
Rot. Bonds4

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

2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 79236641) has the molecular formula C11H14ClN3O3S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID79236641
Molecular FormulaC11H14ClN3O3S2
Molecular Weight335.84 g/mol
Exact Mass335.02
IUPAC Name2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C11H14ClN3O3S2/c1-5-9(8(4)18-14-5)6(2)15-20(16,17)10-7(3)13-11(12)19-10/h6,15H,1-4H3
InChIKeyYGDZIMWKXDFUCV-UHFFFAOYSA-N
XLogP2.75
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053706
2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43456245
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 66194876
1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 79237652
2-chloro-4-methyl-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 54954779
2-chloro-N-[1-(4-cyanophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 61040952
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64603212
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 114387374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 79236641) is 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)c1c(C)noc1C.
What is the InChIKey of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YGDZIMWKXDFUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S2/c1-5-9(8(4)18-14-5)6(2)15-20(16,17)10-7(3)13-11(12)19-10/h6,15H,1-4H3.
What are the key properties of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 335.84 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79236641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).