ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate

C18H19N5O3S — CID 6411679

IUPACethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1
InChIInChI=1S/C18H19N5O3S/c1-2-26-18(25)15-10-27-16(19-15)11-5-7-23(8-6-11)17(24)12-3-4-13-14(9-12)21-22-20-13/h3-4,9-11H,2,5-8H2,1H3,(H,20,21,22)
InChIKeyFCGZYYKJXCYWPX-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.61
Rot. Bonds4

About ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 6411679) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID6411679
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Nameethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1
InChIInChI=1S/C18H19N5O3S/c1-2-26-18(25)15-10-27-16(19-15)11-5-7-23(8-6-11)17(24)12-3-4-13-14(9-12)21-22-20-13/h3-4,9-11H,2,5-8H2,1H3,(H,20,21,22)
InChIKeyFCGZYYKJXCYWPX-UHFFFAOYSA-N
XLogP2.61
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 5-[2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 3752281
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(3-ethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 3768914
ethyl 2-[1-[(2,3,5,6-tetrafluorophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 3855554
4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037
ethyl 5-[2-[1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 4990091
ethyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 3731955
ethyl 2-[[2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 3483844
ethyl 2-[[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 3760095
N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 6413470
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-methyl-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 4992404
2-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3817500

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate (CID 6411679) is ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)n1.
What is the InChIKey of ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is FCGZYYKJXCYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-2-26-18(25)15-10-27-16(19-15)11-5-7-23(8-6-11)17(24)12-3-4-13-14(9-12)21-22-20-13/h3-4,9-11H,2,5-8H2,1H3,(H,20,21,22).
What are the key properties of ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 385.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 6411679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).