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

C9H11ClF3N3O3S2 — CID 61046141

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H11ClF3N3O3S2/c1-15(2)6(17)4-16(5-9(11,12)13)21(18,19)7-3-14-8(10)20-7/h3H,4-5H2,1-2H3
InChIKeyCSYUUESKTSEXBU-UHFFFAOYSA-N
MW365.79 g/mol
LogP1.44
Rot. Bonds5

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

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 61046141) has the molecular formula C9H11ClF3N3O3S2 and a molecular weight of 365.79 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID61046141
Molecular FormulaC9H11ClF3N3O3S2
Molecular Weight365.79 g/mol
Exact Mass364.99
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H11ClF3N3O3S2/c1-15(2)6(17)4-16(5-9(11,12)13)21(18,19)7-3-14-8(10)20-7/h3H,4-5H2,1-2H3
InChIKeyCSYUUESKTSEXBU-UHFFFAOYSA-N
XLogP1.44
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 61046141) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is CSYUUESKTSEXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O3S2/c1-15(2)6(17)4-16(5-9(11,12)13)21(18,19)7-3-14-8(10)20-7/h3H,4-5H2,1-2H3.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 365.79 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 61046141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).