2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C24H22F3N5O2S2 — CID 171347599

IUPAC2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1
InChIInChI=1S/C24H22F3N5O2S2/c25-24(26,27)16-3-6-18(29-14-16)15-1-4-17(5-2-15)30-21(33)19-13-20-22(35-19)31-23(36-20)28-7-8-32-9-11-34-12-10-32/h1-6,13-14H,7-12H2,(H,28,31)(H,30,33)
InChIKeyXUZQLXIRAWJLDN-UHFFFAOYSA-N
MW533.60 g/mol
LogP5.43
Rot. Bonds7

About 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 171347599) has the molecular formula C24H22F3N5O2S2 and a molecular weight of 533.60 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID171347599
Molecular FormulaC24H22F3N5O2S2
Molecular Weight533.60 g/mol
Exact Mass533.12
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1
InChIInChI=1S/C24H22F3N5O2S2/c25-24(26,27)16-3-6-18(29-14-16)15-1-4-17(5-2-15)30-21(33)19-13-20-22(35-19)31-23(36-20)28-7-8-32-9-11-34-12-10-32/h1-6,13-14H,7-12H2,(H,28,31)(H,30,33)
InChIKeyXUZQLXIRAWJLDN-UHFFFAOYSA-N
XLogP5.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.60
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-{2-[(4-morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}-N-(2,2,2-trifluoroethyl)nicotinamide
CID 15980107
4-fluoro-N-(2-morpholinoethyl)-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
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N-[6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]-4-morpholin-4-ylbutanamide
CID 59251739
N-(4-(4-(4-fluorophenyl)-1-(2-methoxyethyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)thiophene-2-carboxamide
CID 52948905
N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 70681104
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone
CID 134145916
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 84973058
N-[4-[3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 146646161
N-[4-(6-fluoro-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618303
N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618327
N-[4-(5-fluoro-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618335
N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 164705833

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 171347599) is 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1cc2sc(NCCN3CCOCC3)nc2s1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is XUZQLXIRAWJLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2S2/c25-24(26,27)16-3-6-18(29-14-16)15-1-4-17(5-2-15)30-21(33)19-13-20-22(35-19)31-23(36-20)28-7-8-32-9-11-34-12-10-32/h1-6,13-14H,7-12H2,(H,28,31)(H,30,33).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 533.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 171347599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).