ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate

C18H17ClN4O3S — CID 67548532

IUPACethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2)s1
InChIInChI=1S/C18H17ClN4O3S/c1-3-12-14(19)23-15(22-12)16(24)21-11-7-5-10(6-8-11)17-20-9-13(27-17)18(25)26-4-2/h5-9H,3-4H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZPDOOBQKBWAVRP-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.18
Rot. Bonds6

About ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate

ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 67548532) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate
PubChem CID67548532
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Nameethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2)s1
InChIInChI=1S/C18H17ClN4O3S/c1-3-12-14(19)23-15(22-12)16(24)21-11-7-5-10(6-8-11)17-20-9-13(27-17)18(25)26-4-2/h5-9H,3-4H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZPDOOBQKBWAVRP-UHFFFAOYSA-N
XLogP4.18
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

N-[2-amino-1-[5-(hydroxymethyl)-4-methyl-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide
CID 118970240
Methyl 2-[[4-[[2-(5-chloro-2-thienyl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]methyl]-1H-imidazole-4-carboxylate
CID 74221566
N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 71847062
2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}phenyl)-1,3-thiazole-5-carboxylic acid
CID 59615401
2-(5-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-1,3-dihydro-2H-isoindol-2-yl)-1,3-thiazole-5-carboxylic acid
CID 59615408
2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59615437
Ethyl 2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}phenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 67548366
ethyl 2-(5-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-1,3-dihydro-2H-isoindol-2-yl)-1,3-thiazole-5-carboxylate
CID 67548627
N-[4-[2-(3-chloro-6-methoxycyclohexa-1,3-dien-1-yl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 144619933
N-[2-amino-1-[4-ethenyl-5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-(4-chlorophenyl)-1H-imidazole-5-carboxamide
CID 158424080
2-[4-[2-(4-chloro-5-ethyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1,3-thiazole-5-carboxylic acid
CID 160368942
methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate
CID 75400019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate (CID 67548532) is ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2)s1.
What is the InChIKey of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is ZPDOOBQKBWAVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-3-12-14(19)23-15(22-12)16(24)21-11-7-5-10(6-8-11)17-20-9-13(27-17)18(25)26-4-2/h5-9H,3-4H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate?
ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 404.88 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67548532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).