N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

C18H19F3N4O3S — CID 46114179

IUPACN-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O3S/c19-18(20,21)13-4-2-1-3-12(13)15(26)24-17-23-14(11-29-17)16(27)22-5-6-25-7-9-28-10-8-25/h1-4,11H,5-10H2,(H,22,27)(H,23,24,26)
InChIKeyKNNHQADJIVVYIU-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.48
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 46114179) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID46114179
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O3S/c19-18(20,21)13-4-2-1-3-12(13)15(26)24-17-23-14(11-29-17)16(27)22-5-6-25-7-9-28-10-8-25/h1-4,11H,5-10H2,(H,22,27)(H,23,24,26)
InChIKeyKNNHQADJIVVYIU-UHFFFAOYSA-N
XLogP2.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114198
N-cyclohexyl-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114168
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole-4-carboxamide
CID 46175716
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
1-methyl-N-(2-morpholin-4-ylethyl)-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]pyrazole-3-carboxamide
CID 46847737
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 117082905
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 46114179) is N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is O=C(NCCN1CCOCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is KNNHQADJIVVYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c19-18(20,21)13-4-2-1-3-12(13)15(26)24-17-23-14(11-29-17)16(27)22-5-6-25-7-9-28-10-8-25/h1-4,11H,5-10H2,(H,22,27)(H,23,24,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).