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

C19H19ClN4O3S — CID 67548366

IUPACethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2)nc1C
InChIInChI=1S/C19H19ClN4O3S/c1-4-13-15(20)24-16(23-13)17(25)22-12-8-6-11(7-9-12)18-21-10(3)14(28-18)19(26)27-5-2/h6-9H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZCXSRCQPZJMBKG-UHFFFAOYSA-N
MW418.91 g/mol
LogP4.49
Rot. Bonds6

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

ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 67548366) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID67548366
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Nameethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2)nc1C
InChIInChI=1S/C19H19ClN4O3S/c1-4-13-15(20)24-16(23-13)17(25)22-12-8-6-11(7-9-12)18-21-10(3)14(28-18)19(26)27-5-2/h6-9H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZCXSRCQPZJMBKG-UHFFFAOYSA-N
XLogP4.49
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}phenyl)-1,3-thiazole-5-carboxylic acid
CID 59615401
2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59615437
2-[(3R,4R)-3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59615451
2-[(3S,4R)-3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59615490
Ethyl 2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}phenyl)-1,3-thiazole-5-carboxylate
CID 67548532
ethyl 2-[3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68414523
ethyl 2-[(3S,4S)-3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68414524
ethyl 2-[(3S,4R)-3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68415048
2-[3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68416223
2-[(3S,4S)-3-(benzylamino)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68416592
ethyl 2-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-4-methylthiazole-5-carboxylate
CID 71741373
Ethyl cis(+/-)-2-[3-(benzylamino)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 86648786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 67548366) is ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2)nc1C.
What is the InChIKey of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZCXSRCQPZJMBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-4-13-15(20)24-16(23-13)17(25)22-12-8-6-11(7-9-12)18-21-10(3)14(28-18)19(26)27-5-2/h6-9H,4-5H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 418.91 g/mol, XLogP of 4.49, 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]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67548366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).