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

C15H18N2O2S — CID 112724647

IUPACmethyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)11-4-6-12(7-5-11)16-15-17-13(9-20-15)8-14(18)19-3/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeySBRDSWRGQAGQGD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.73
Rot. Bonds5

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

methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 112724647) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID112724647
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)11-4-6-12(7-5-11)16-15-17-13(9-20-15)8-14(18)19-3/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeySBRDSWRGQAGQGD-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80574203
methyl 2-[2-(3-amino-4-chloroanilino)-1,3-thiazol-4-yl]acetate
CID 82059201
methyl 2-(4-propan-2-ylanilino)-1,3-thiazole-4-carboxylate
CID 113306613
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
CID 80574423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate (CID 112724647) is methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is SBRDSWRGQAGQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)11-4-6-12(7-5-11)16-15-17-13(9-20-15)8-14(18)19-3/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 290.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 112724647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).