N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide

C29H33F3N6O3S2 — CID 68995407

IUPACN-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCOCc1nc(N(CC(Cc2ccc(C(F)(F)F)cc2)NCCN2CCOCC2)C(C)=O)sc1-c1nc2ccncc2s1
InChIInChI=1S/C29H33F3N6O3S2/c1-19(39)38(28-36-24(18-40-2)26(43-28)27-35-23-7-8-33-16-25(23)42-27)17-22(34-9-10-37-11-13-41-14-12-37)15-20-3-5-21(6-4-20)29(30,31)32/h3-8,16,22,34H,9-15,17-18H2,1-2H3
InChIKeyRICPXEDFSOVZEH-UHFFFAOYSA-N
MW634.75 g/mol
LogP4.87
Rot. Bonds12

About N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide

N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide (PubChem CID 68995407) has the molecular formula C29H33F3N6O3S2 and a molecular weight of 634.75 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
PubChem CID68995407
Molecular FormulaC29H33F3N6O3S2
Molecular Weight634.75 g/mol
Exact Mass634.20
IUPAC NameN-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCOCc1nc(N(CC(Cc2ccc(C(F)(F)F)cc2)NCCN2CCOCC2)C(C)=O)sc1-c1nc2ccncc2s1
InChIInChI=1S/C29H33F3N6O3S2/c1-19(39)38(28-36-24(18-40-2)26(43-28)27-35-23-7-8-33-16-25(23)42-27)17-22(34-9-10-37-11-13-41-14-12-37)15-20-3-5-21(6-4-20)29(30,31)32/h3-8,16,22,34H,9-15,17-18H2,1-2H3
InChIKeyRICPXEDFSOVZEH-UHFFFAOYSA-N
XLogP4.87
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.75
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide with MolForge

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Related Compounds

N-[(2R)-2-amino-3-(3-chlorophenyl)propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide
CID 68993350
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 43997109
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 43997556
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 44933125
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 121046548
2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43817948
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113163762
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 44947920
N-(2-morpholin-4-ylethyl)-2-pyridin-4-ylsulfanyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602586
2-methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037415
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
4-methyl-N-(2-morpholin-4-ylethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084285

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The IUPAC name of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide (CID 68995407) is N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide is COCc1nc(N(CC(Cc2ccc(C(F)(F)F)cc2)NCCN2CCOCC2)C(C)=O)sc1-c1nc2ccncc2s1.
What is the InChIKey of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The InChIKey is RICPXEDFSOVZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N6O3S2/c1-19(39)38(28-36-24(18-40-2)26(43-28)27-35-23-7-8-33-16-25(23)42-27)17-22(34-9-10-37-11-13-41-14-12-37)15-20-3-5-21(6-4-20)29(30,31)32/h3-8,16,22,34H,9-15,17-18H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide?
N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide has a molecular weight of 634.75 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-3-[4-(trifluoromethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 68995407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).