methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate

C9H10ClF3N2O4S2 — CID 61045413

IUPACmethyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H10ClF3N2O4S2/c1-19-6(16)2-3-15(5-9(11,12)13)21(17,18)7-4-14-8(10)20-7/h4H,2-3,5H2,1H3
InChIKeyRCGYGIMQGJFQIA-UHFFFAOYSA-N
MW366.77 g/mol
LogP1.91
Rot. Bonds6

About methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 61045413) has the molecular formula C9H10ClF3N2O4S2 and a molecular weight of 366.77 g/mol. Its IUPAC name is methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID61045413
Molecular FormulaC9H10ClF3N2O4S2
Molecular Weight366.77 g/mol
Exact Mass365.97
IUPAC Namemethyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H10ClF3N2O4S2/c1-19-6(16)2-3-15(5-9(11,12)13)21(17,18)7-4-14-8(10)20-7/h4H,2-3,5H2,1H3
InChIKeyRCGYGIMQGJFQIA-UHFFFAOYSA-N
XLogP1.91
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate with MolForge

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Related Compounds

2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 54979823
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045951
2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61047432
Ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate
CID 123515160
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
CID 54998123
Methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]propanoate
CID 55002183
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 55007212
Methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046283
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 61046500
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61046876
Methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61046889
Methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]butanoate
CID 61047433

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate (CID 61045413) is methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is RCGYGIMQGJFQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O4S2/c1-19-6(16)2-3-15(5-9(11,12)13)21(17,18)7-4-14-8(10)20-7/h4H,2-3,5H2,1H3.
What are the key properties of methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 366.77 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 61045413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).