N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide

C21H22F3N3O3S — CID 46834380

IUPACN-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide
SMILESCCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H](C)O)sc2ccncc21
InChIInChI=1S/C21H22F3N3O3S/c1-3-4-9-27-16-11-25-8-7-18(16)31-20(27)26-19(29)15-10-14(21(22,23)24)5-6-17(15)30-12-13(2)28/h5-8,10-11,13,28H,3-4,9,12H2,1-2H3/b26-20-/t13-/m1/s1
InChIKeyGTPXWSRXESPRJW-WLBMUGLSSA-N
MW453.49 g/mol
LogP4.42
Rot. Bonds7

About N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide

N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide (PubChem CID 46834380) has the molecular formula C21H22F3N3O3S and a molecular weight of 453.49 g/mol. Its IUPAC name is N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide
PubChem CID46834380
Molecular FormulaC21H22F3N3O3S
Molecular Weight453.49 g/mol
Exact Mass453.13
IUPAC NameN-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide
SMILESCCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H](C)O)sc2ccncc21
InChIInChI=1S/C21H22F3N3O3S/c1-3-4-9-27-16-11-25-8-7-18(16)31-20(27)26-19(29)15-10-14(21(22,23)24)5-6-17(15)30-12-13(2)28/h5-8,10-11,13,28H,3-4,9,12H2,1-2H3/b26-20-/t13-/m1/s1
InChIKeyGTPXWSRXESPRJW-WLBMUGLSSA-N
XLogP4.42
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide (CID 46834380) is N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide is CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H](C)O)sc2ccncc21.
What is the InChIKey of N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is GTPXWSRXESPRJW-WLBMUGLSSA-N. The full InChI is InChI=1S/C21H22F3N3O3S/c1-3-4-9-27-16-11-25-8-7-18(16)31-20(27)26-19(29)15-10-14(21(22,23)24)5-6-17(15)30-12-13(2)28/h5-8,10-11,13,28H,3-4,9,12H2,1-2H3/b26-20-/t13-/m1/s1.
What are the key properties of N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide?
N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 453.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-[1,3]thiazolo[4,5-c]pyridin-2-ylidene)-2-[(2R)-2-hydroxypropoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46834380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).