2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H17N3O2S — CID 82066992

IUPAC2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)c2ccc(N)cc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H17N3O2S/c1-9-14(15(20)18(2)3)21-13(17-9)8-12(19)10-4-6-11(16)7-5-10/h4-7H,8,16H2,1-3H3
InChIKeyKJDDNMTXHXRELO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 82066992) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID82066992
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)c2ccc(N)cc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H17N3O2S/c1-9-14(15(20)18(2)3)21-13(17-9)8-12(19)10-4-6-11(16)7-5-10/h4-7H,8,16H2,1-3H3
InChIKeyKJDDNMTXHXRELO-UHFFFAOYSA-N
XLogP2.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
prop-2-enyl 4-methyl-2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazole-5-carboxylate
CID 161431009
(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 70585717
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
1-(4-amino-3-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116582034
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 115789501
2-[[(3-aminobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629183
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
1-(4-amino-2-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 112736182
(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 13151153
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 82066992) is 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)c2ccc(N)cc2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KJDDNMTXHXRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-14(15(20)18(2)3)21-13(17-9)8-12(19)10-4-6-11(16)7-5-10/h4-7H,8,16H2,1-3H3.
What are the key properties of 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 82066992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).