ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate

C19H19ClN4O3S — CID 177385927

IUPACethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2)/c(=N/c2cc(Cl)nc(C)n2)s1
InChIInChI=1S/C19H19ClN4O3S/c1-4-27-18(25)15-11-24(10-13-5-7-14(26-3)8-6-13)19(28-15)23-17-9-16(20)21-12(2)22-17/h5-9,11H,4,10H2,1-3H3/b23-19-
InChIKeyUGEBNJFGZJLJPW-NMWGTECJSA-N
MW418.91 g/mol
LogP3.77
Rot. Bonds6

About ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate

ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate (PubChem CID 177385927) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate
PubChem CID177385927
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Nameethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2)/c(=N/c2cc(Cl)nc(C)n2)s1
InChIInChI=1S/C19H19ClN4O3S/c1-4-27-18(25)15-11-24(10-13-5-7-14(26-3)8-6-13)19(28-15)23-17-9-16(20)21-12(2)22-17/h5-9,11H,4,10H2,1-3H3/b23-19-
InChIKeyUGEBNJFGZJLJPW-NMWGTECJSA-N
XLogP3.77
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-5-methylsulfanylpyrrole-3-carboxylate
CID 151363085
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
CID 162684166
diethyl 2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]propanedioate
CID 102289828
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
CID 142416598
methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate
CID 169193829
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
CID 178180601
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161136638
ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 705131
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate (CID 177385927) is ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cn(Cc2ccc(OC)cc2)/c(=N/c2cc(Cl)nc(C)n2)s1.
What is the InChIKey of ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate?
The InChIKey is UGEBNJFGZJLJPW-NMWGTECJSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-4-27-18(25)15-11-24(10-13-5-7-14(26-3)8-6-13)19(28-15)23-17-9-16(20)21-12(2)22-17/h5-9,11H,4,10H2,1-3H3/b23-19-.
What are the key properties of ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate?
ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate has a molecular weight of 418.91 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 177385927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).