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

C9H10ClN3O3S2 — CID 61051360

IUPAC2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)c2cnc(Cl)s2)no1
InChIInChI=1S/C9H10ClN3O3S2/c1-6-3-7(12-16-6)5-13(2)18(14,15)8-4-11-9(10)17-8/h3-4H,5H2,1-2H3
InChIKeyBDLPKNSVGCFZFY-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.91
Rot. Bonds4

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

2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61051360) has the molecular formula C9H10ClN3O3S2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61051360
Molecular FormulaC9H10ClN3O3S2
Molecular Weight307.78 g/mol
Exact Mass306.99
IUPAC Name2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)c2cnc(Cl)s2)no1
InChIInChI=1S/C9H10ClN3O3S2/c1-6-3-7(12-16-6)5-13(2)18(14,15)8-4-11-9(10)17-8/h3-4H,5H2,1-2H3
InChIKeyBDLPKNSVGCFZFY-UHFFFAOYSA-N
XLogP1.91
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 54987200
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969412
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 43587615
2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61045396
5-amino-4-bromo-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 114625195
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
3-amino-4-fluoro-N,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 115421282
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110714543
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 61051360) is 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1cc(CN(C)S(=O)(=O)c2cnc(Cl)s2)no1.
What is the InChIKey of 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is BDLPKNSVGCFZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3S2/c1-6-3-7(12-16-6)5-13(2)18(14,15)8-4-11-9(10)17-8/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 307.78 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).