N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide

C23H25N3O2S — CID 4796771

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C23H25N3O2S/c1-2-17-3-7-19(8-4-17)21-16-29-23(24-21)25-22(27)20-9-5-18(6-10-20)15-26-11-13-28-14-12-26/h3-10,16H,2,11-15H2,1H3,(H,24,25,27)
InChIKeyBVXZMIFAKBVDSQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.46
Rot. Bonds6

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 4796771) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID4796771
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C23H25N3O2S/c1-2-17-3-7-19(8-4-17)21-16-29-23(24-21)25-22(27)20-9-5-18(6-10-20)15-26-11-13-28-14-12-26/h3-10,16H,2,11-15H2,1H3,(H,24,25,27)
InChIKeyBVXZMIFAKBVDSQ-UHFFFAOYSA-N
XLogP4.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-thiazol-4-yl]benzamide
CID 25164687
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-(morpholin-4-ylmethyl)-N-[4-[3-[2-[tri(propan-2-yl)-λ4-sulfanyl]ethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 129109039
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 17401021
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761980
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 75470464
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide (CID 4796771) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide is CCc1ccc(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is BVXZMIFAKBVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-2-17-3-7-19(8-4-17)21-16-29-23(24-21)25-22(27)20-9-5-18(6-10-20)15-26-11-13-28-14-12-26/h3-10,16H,2,11-15H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 407.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 4796771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).