methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate

C14H16N2O3S — CID 80571492

IUPACmethyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
SMILESCCCOc1ccc(Nc2ncc(C(=O)OC)s2)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-8-19-11-6-4-10(5-7-11)16-14-15-9-12(20-14)13(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyUIYUDDBTONDXNN-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.46
Rot. Bonds6

About methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate

methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate (PubChem CID 80571492) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
PubChem CID80571492
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
SMILESCCCOc1ccc(Nc2ncc(C(=O)OC)s2)cc1
InChIInChI=1S/C14H16N2O3S/c1-3-8-19-11-6-4-10(5-7-11)16-14-15-9-12(20-14)13(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyUIYUDDBTONDXNN-UHFFFAOYSA-N
XLogP3.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
methyl 2-(3-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571491
methyl 2-(octylamino)-1,3-thiazole-5-carboxylate
CID 113336783
methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80572796
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 106241505
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144
methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
CID 80572957
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
CID 138619746
methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80570947
methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
CID 107647034

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate (CID 80571492) is methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate is CCCOc1ccc(Nc2ncc(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is UIYUDDBTONDXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-8-19-11-6-4-10(5-7-11)16-14-15-9-12(20-14)13(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).