N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C23H21N7O3S — CID 23144509

IUPACN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccco2)c(C(=O)c2ccccn2)s1
InChIInChI=1S/C23H21N7O3S/c31-18(15-29-10-12-30(13-11-29)22-25-8-4-9-26-22)27-23-28-19(17-6-3-14-33-17)21(34-23)20(32)16-5-1-2-7-24-16/h1-9,14H,10-13,15H2,(H,27,28,31)
InChIKeyBJVAMZFFFFFLQS-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.58
Rot. Bonds7

About N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 23144509) has the molecular formula C23H21N7O3S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID23144509
Molecular FormulaC23H21N7O3S
Molecular Weight475.53 g/mol
Exact Mass475.14
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccco2)c(C(=O)c2ccccn2)s1
InChIInChI=1S/C23H21N7O3S/c31-18(15-29-10-12-30(13-11-29)22-25-8-4-9-26-22)27-23-28-19(17-6-3-14-33-17)21(34-23)20(32)16-5-1-2-7-24-16/h1-9,14H,10-13,15H2,(H,27,28,31)
InChIKeyBJVAMZFFFFFLQS-UHFFFAOYSA-N
XLogP2.58
TPSA117.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 23144509) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccco2)c(C(=O)c2ccccn2)s1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is BJVAMZFFFFFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3S/c31-18(15-29-10-12-30(13-11-29)22-25-8-4-9-26-22)27-23-28-19(17-6-3-14-33-17)21(34-23)20(32)16-5-1-2-7-24-16/h1-9,14H,10-13,15H2,(H,27,28,31).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 475.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 23144509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).