N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C22H23N3O5S — CID 16564148

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)n2)c(OC)c1
InChIInChI=1S/C22H23N3O5S/c1-28-15-5-6-16(19(12-15)29-2)17-13-31-22(23-17)24-20(26)14-7-9-25(10-8-14)21(27)18-4-3-11-30-18/h3-6,11-14H,7-10H2,1-2H3,(H,23,24,26)
InChIKeyAAQWCBDBJUMLRO-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.91
Rot. Bonds6

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 16564148) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID16564148
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)n2)c(OC)c1
InChIInChI=1S/C22H23N3O5S/c1-28-15-5-6-16(19(12-15)29-2)17-13-31-22(23-17)24-20(26)14-7-9-25(10-8-14)21(27)18-4-3-11-30-18/h3-6,11-14H,7-10H2,1-2H3,(H,23,24,26)
InChIKeyAAQWCBDBJUMLRO-UHFFFAOYSA-N
XLogP3.91
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46667929
[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7486674
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46629072
1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 37019192
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16594024
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446262
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
1-(furan-2-carbonyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 9374722

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 16564148) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is COc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is AAQWCBDBJUMLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-28-15-5-6-16(19(12-15)29-2)17-13-31-22(23-17)24-20(26)14-7-9-25(10-8-14)21(27)18-4-3-11-30-18/h3-6,11-14H,7-10H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16564148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).