2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C22H20N4O3S2 — CID 3809352

IUPAC2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)s1
InChIInChI=1S/C22H20N4O3S2/c1-13-11-23-22(31-13)25-19(27)16-12-30-20(24-16)14-6-8-26(9-7-14)21(28)18-10-15-4-2-3-5-17(15)29-18/h2-5,10-12,14H,6-9H2,1H3,(H,23,25,27)
InChIKeyCHOARXHRVQZXNQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.93
Rot. Bonds4

About 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3809352) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID3809352
Molecular FormulaC22H20N4O3S2
Molecular Weight452.56 g/mol
Exact Mass452.10
IUPAC Name2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)s1
InChIInChI=1S/C22H20N4O3S2/c1-13-11-23-22(31-13)25-19(27)16-12-30-20(24-16)14-6-8-26(9-7-14)21(28)18-10-15-4-2-3-5-17(15)29-18/h2-5,10-12,14H,6-9H2,1H3,(H,23,25,27)
InChIKeyCHOARXHRVQZXNQ-UHFFFAOYSA-N
XLogP4.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3678647
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23849343
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2-methylquinolin-4-yl)-1,3-thiazole-4-carboxamide
CID 23935966
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 4656708
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23734959
prop-2-ynyl 4-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3860060
1-benzofuran-2-yl-[4-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3751575
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 23855448
ethyl 2-[4-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetate
CID 3449970
N-(5-chloro-1,3-thiazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23825748
N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3751573
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 3809352) is 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cnc(NC(=O)c2csc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)s1.
What is the InChIKey of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CHOARXHRVQZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c1-13-11-23-22(31-13)25-19(27)16-12-30-20(24-16)14-6-8-26(9-7-14)21(28)18-10-15-4-2-3-5-17(15)29-18/h2-5,10-12,14H,6-9H2,1H3,(H,23,25,27).
What are the key properties of 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3809352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).