N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C22H25N3O2S — CID 8694972

IUPACN-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCOc1ccc(CN(C)Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H25N3O2S/c1-4-27-21-12-10-18(11-13-21)14-24(3)15-19-16-28-22(23-19)25(17(2)26)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3
InChIKeyXHIUHGRXZVYPHV-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.86
Rot. Bonds8

About N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 8694972) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID8694972
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCOc1ccc(CN(C)Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H25N3O2S/c1-4-27-21-12-10-18(11-13-21)14-24(3)15-19-16-28-22(23-19)25(17(2)26)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3
InChIKeyXHIUHGRXZVYPHV-UHFFFAOYSA-N
XLogP4.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 38540845
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55305941
N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78818770
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 29219581
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092682
N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817692
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856850
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
CID 47524069
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-(2-ethoxyphenoxy)acetate
CID 46538368
N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611578

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 8694972) is N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CCOc1ccc(CN(C)Cc2csc(N(C(C)=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is XHIUHGRXZVYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-4-27-21-12-10-18(11-13-21)14-24(3)15-19-16-28-22(23-19)25(17(2)26)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 395.53 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 8694972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).