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

C18H24ClN5O3S — CID 67549110

IUPACethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)CC2)nc1C
InChIInChI=1S/C18H24ClN5O3S/c1-4-12-14(19)23-15(22-12)16(25)21-11-6-8-24(9-7-11)18-20-10(3)13(28-18)17(26)27-5-2/h11H,4-9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyKUALWANKRJYLIG-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.97
Rot. Bonds6

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

ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 67549110) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID67549110
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC Nameethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)CC2)nc1C
InChIInChI=1S/C18H24ClN5O3S/c1-4-12-14(19)23-15(22-12)16(25)21-11-6-8-24(9-7-11)18-20-10(3)13(28-18)17(26)27-5-2/h11H,4-9H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyKUALWANKRJYLIG-UHFFFAOYSA-N
XLogP2.97
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 67549110) is ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-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]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCC(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]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is KUALWANKRJYLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-4-12-14(19)23-15(22-12)16(25)21-11-6-8-24(9-7-11)18-20-10(3)13(28-18)17(26)27-5-2/h11H,4-9H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 425.94 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67549110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).