N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C20H22N6OS — CID 60517302

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)nc2)CC1
InChIInChI=1S/C20H22N6OS/c1-25-7-9-26(10-8-25)17-4-5-18(22-13-17)24-19(27)11-16-14-28-20(23-16)15-3-2-6-21-12-15/h2-6,12-14H,7-11H2,1H3,(H,22,24,27)
InChIKeyUHXOVZPUXSSZQF-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.53
Rot. Bonds5

About N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 60517302) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID60517302
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)nc2)CC1
InChIInChI=1S/C20H22N6OS/c1-25-7-9-26(10-8-25)17-4-5-18(22-13-17)24-19(27)11-16-14-28-20(23-16)15-3-2-6-21-12-15/h2-6,12-14H,7-11H2,1H3,(H,22,24,27)
InChIKeyUHXOVZPUXSSZQF-UHFFFAOYSA-N
XLogP2.53
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 60517302) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UHXOVZPUXSSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-25-7-9-26(10-8-25)17-4-5-18(22-13-17)24-19(27)11-16-14-28-20(23-16)15-3-2-6-21-12-15/h2-6,12-14H,7-11H2,1H3,(H,22,24,27).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 60517302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).