N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C25H26N6O5S — CID 6413470

IUPACN-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4ccc5n[nH]nc5c4)cs3)CC2)c(OC)c1OC
InChIInChI=1S/C25H26N6O5S/c1-34-20-7-5-16(21(35-2)22(20)36-3)25(33)31-10-8-14(9-11-31)24-27-19(13-37-24)23(32)26-15-4-6-17-18(12-15)29-30-28-17/h4-7,12-14H,8-11H2,1-3H3,(H,26,32)(H,28,29,30)
InChIKeyMIWOQWFPKXSFDR-UHFFFAOYSA-N
MW522.59 g/mol
LogP3.71
Rot. Bonds7

About N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 6413470) has the molecular formula C25H26N6O5S and a molecular weight of 522.59 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID6413470
Molecular FormulaC25H26N6O5S
Molecular Weight522.59 g/mol
Exact Mass522.17
IUPAC NameN-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4ccc5n[nH]nc5c4)cs3)CC2)c(OC)c1OC
InChIInChI=1S/C25H26N6O5S/c1-34-20-7-5-16(21(35-2)22(20)36-3)25(33)31-10-8-14(9-11-31)24-27-19(13-37-24)23(32)26-15-4-6-17-18(12-15)29-30-28-17/h4-7,12-14H,8-11H2,1-3H3,(H,26,32)(H,28,29,30)
InChIKeyMIWOQWFPKXSFDR-UHFFFAOYSA-N
XLogP3.71
TPSA131.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.59
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3705058
N-(3-carbamoyl-4-methylthiophen-2-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3539801
N-(thiophen-2-ylmethyl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3854593
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3417898
N-(2H-benzotriazol-5-yl)-2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23994094
N-[2-(4-ethylphenyl)phenyl]-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59210143
N-[3-(2-methylpropoxy)propyl]-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3698210
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3685476
[4-[4-(4-benzylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3797595
2-[1-(2,4-dimethoxy-3-methylsulfanylbenzoyl)piperidin-4-yl]-N-(4-hydroxy-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 142983218
[4-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3309766

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 6413470) is N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4ccc5n[nH]nc5c4)cs3)CC2)c(OC)c1OC.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is MIWOQWFPKXSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5S/c1-34-20-7-5-16(21(35-2)22(20)36-3)25(33)31-10-8-14(9-11-31)24-27-19(13-37-24)23(32)26-15-4-6-17-18(12-15)29-30-28-17/h4-7,12-14H,8-11H2,1-3H3,(H,26,32)(H,28,29,30).
What are the key properties of N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 522.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 6413470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).