N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide

C24H27N3O3S — CID 53103658

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N(C)Cc2ccco2)CC1
InChIInChI=1S/C24H27N3O3S/c1-17-22(31-23(25-17)19-7-4-3-5-8-19)24(29)27-12-10-18(11-13-27)15-21(28)26(2)16-20-9-6-14-30-20/h3-9,14,18H,10-13,15-16H2,1-2H3
InChIKeyWTGPETNSIAONEV-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.61
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 53103658) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID53103658
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N(C)Cc2ccco2)CC1
InChIInChI=1S/C24H27N3O3S/c1-17-22(31-23(25-17)19-7-4-3-5-8-19)24(29)27-12-10-18(11-13-27)15-21(28)26(2)16-20-9-6-14-30-20/h3-9,14,18H,10-13,15-16H2,1-2H3
InChIKeyWTGPETNSIAONEV-UHFFFAOYSA-N
XLogP4.61
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide (CID 53103658) is N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N(C)Cc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is WTGPETNSIAONEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-22(31-23(25-17)19-7-4-3-5-8-19)24(29)27-12-10-18(11-13-27)15-21(28)26(2)16-20-9-6-14-30-20/h3-9,14,18H,10-13,15-16H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53103658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).