2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate

C17H19N2O3S- — CID 9153877

IUPAC2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESCc1cccc(C(C)C)c1NC(=O)Cc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C17H20N2O3S/c1-10(2)13-6-4-5-11(3)17(13)19-14(20)8-15-18-12(9-23-15)7-16(21)22/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)(H,21,22)/p-1
InChIKeyQFVUKNISLQKBJP-UHFFFAOYSA-M
MW331.42 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9153877) has the molecular formula C17H19N2O3S- and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
PubChem CID9153877
Molecular FormulaC17H19N2O3S-
Molecular Weight331.42 g/mol
Exact Mass331.11
IUPAC Name2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESCc1cccc(C(C)C)c1NC(=O)Cc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C17H20N2O3S/c1-10(2)13-6-4-5-11(3)17(13)19-14(20)8-15-18-12(9-23-15)7-16(21)22/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)(H,21,22)/p-1
InChIKeyQFVUKNISLQKBJP-UHFFFAOYSA-M
XLogP2.05
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9153801
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16560695
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 86989584
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154948
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153988

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate (CID 9153877) is 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate is Cc1cccc(C(C)C)c1NC(=O)Cc1nc(CC(=O)[O-])cs1.
What is the InChIKey of 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is QFVUKNISLQKBJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20N2O3S/c1-10(2)13-6-4-5-11(3)17(13)19-14(20)8-15-18-12(9-23-15)7-16(21)22/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 331.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9153877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).