N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide

C20H21N3O4S — CID 130473984

IUPACN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1
InChIInChI=1S/C20H21N3O4S/c24-16(12-14-4-1-2-8-21-14)22-20-23-17(15-5-3-9-27-15)19(28-20)18(25)13-6-10-26-11-7-13/h1-5,8-9,13,18,25H,6-7,10-12H2,(H,22,23,24)
InChIKeyZXOBIXXHSBVESM-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.44
Rot. Bonds6

About N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide

N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 130473984) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide
PubChem CID130473984
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1
InChIInChI=1S/C20H21N3O4S/c24-16(12-14-4-1-2-8-21-14)22-20-23-17(15-5-3-9-27-15)19(28-20)18(25)13-6-10-26-11-7-13/h1-5,8-9,13,18,25H,6-7,10-12H2,(H,22,23,24)
InChIKeyZXOBIXXHSBVESM-UHFFFAOYSA-N
XLogP3.44
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide (CID 130473984) is N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1.
What is the InChIKey of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is ZXOBIXXHSBVESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-16(12-14-4-1-2-8-21-14)22-20-23-17(15-5-3-9-27-15)19(28-20)18(25)13-6-10-26-11-7-13/h1-5,8-9,13,18,25H,6-7,10-12H2,(H,22,23,24).
What are the key properties of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 399.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 130473984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).