N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide

C24H27N5O4S — CID 87171116

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCNCC2)c1
InChIInChI=1S/C24H27N5O4S/c30-21(16-4-12-32-13-5-16)22-20(19-2-1-11-33-19)27-24(34-22)28-23(31)17-3-6-26-18(14-17)15-29-9-7-25-8-10-29/h1-3,6,11,14,16,25H,4-5,7-10,12-13,15H2,(H,27,28,31)
InChIKeyDZSMVOHHBHJJDP-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.06
Rot. Bonds7

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide (PubChem CID 87171116) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide
PubChem CID87171116
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCNCC2)c1
InChIInChI=1S/C24H27N5O4S/c30-21(16-4-12-32-13-5-16)22-20(19-2-1-11-33-19)27-24(34-22)28-23(31)17-3-6-26-18(14-17)15-29-9-7-25-8-10-29/h1-3,6,11,14,16,25H,4-5,7-10,12-13,15H2,(H,27,28,31)
InChIKeyDZSMVOHHBHJJDP-UHFFFAOYSA-N
XLogP3.06
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide (CID 87171116) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccnc(CN2CCNCC2)c1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide?
The InChIKey is DZSMVOHHBHJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c30-21(16-4-12-32-13-5-16)22-20(19-2-1-11-33-19)27-24(34-22)28-23(31)17-3-6-26-18(14-17)15-29-9-7-25-8-10-29/h1-3,6,11,14,16,25H,4-5,7-10,12-13,15H2,(H,27,28,31).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-(piperazin-1-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 87171116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).