ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate

C24H29N5O3S — CID 108778425

IUPACethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1Nc1ncc(CN2CCCCC2C)s1
InChIInChI=1S/C24H29N5O3S/c1-4-32-23(30)20-14-25-21(17-8-10-18(31-3)11-9-17)27-22(20)28-24-26-13-19(33-24)15-29-12-6-5-7-16(29)2/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,25,26,27,28)
InChIKeyXQGZNFIUDIVICD-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.90
Rot. Bonds8

About ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate

ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate (PubChem CID 108778425) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate
PubChem CID108778425
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Nameethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1Nc1ncc(CN2CCCCC2C)s1
InChIInChI=1S/C24H29N5O3S/c1-4-32-23(30)20-14-25-21(17-8-10-18(31-3)11-9-17)27-22(20)28-24-26-13-19(33-24)15-29-12-6-5-7-16(29)2/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,25,26,27,28)
InChIKeyXQGZNFIUDIVICD-UHFFFAOYSA-N
XLogP4.90
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
5-[(2-methylpiperidin-1-yl)methyl]-N-(6-methylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 108778428
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 108778404
ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 108775340
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
ethyl 2-(4-methoxyphenyl)-4-[[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772302
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 108783704
6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108778408
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate (CID 108778425) is ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1Nc1ncc(CN2CCCCC2C)s1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate?
The InChIKey is XQGZNFIUDIVICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-4-32-23(30)20-14-25-21(17-8-10-18(31-3)11-9-17)27-22(20)28-24-26-13-19(33-24)15-29-12-6-5-7-16(29)2/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,25,26,27,28).
What are the key properties of ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate?
ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate has a molecular weight of 467.60 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 108778425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).