[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate

C23H24N4O4S — CID 145488897

IUPAC[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cc(CNc2ccccc2C)ccc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C23H24N4O4S/c1-14-6-4-5-7-19(14)24-11-17-8-9-18(22(30)27-23-25-15(2)13-32-23)20(10-17)26-21(29)12-31-16(3)28/h4-10,13,24H,11-12H2,1-3H3,(H,26,29)(H,25,27,30)
InChIKeyWQKRMQJZEOLBPP-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.13
Rot. Bonds8

About [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate

[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate (PubChem CID 145488897) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate
PubChem CID145488897
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cc(CNc2ccccc2C)ccc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C23H24N4O4S/c1-14-6-4-5-7-19(14)24-11-17-8-9-18(22(30)27-23-25-15(2)13-32-23)20(10-17)26-21(29)12-31-16(3)28/h4-10,13,24H,11-12H2,1-3H3,(H,26,29)(H,25,27,30)
InChIKeyWQKRMQJZEOLBPP-UHFFFAOYSA-N
XLogP4.13
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 145489177
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113
4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489087
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 145489207
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 27751657
[2-(2-methylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2624925

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate (CID 145488897) is [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1cc(CNc2ccccc2C)ccc1C(=O)Nc1nc(C)cs1.
What is the InChIKey of [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate?
The InChIKey is WQKRMQJZEOLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-14-6-4-5-7-19(14)24-11-17-8-9-18(22(30)27-23-25-15(2)13-32-23)20(10-17)26-21(29)12-31-16(3)28/h4-10,13,24H,11-12H2,1-3H3,(H,26,29)(H,25,27,30).
What are the key properties of [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate?
[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate has a molecular weight of 452.54 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate is sourced from PubChem (CID 145488897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).