N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide

C20H20N4O2S — CID 87026182

IUPACN-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C20H20N4O2S/c1-2-5-18(25)22-15-7-3-8-16(10-15)23-19(26)11-17-13-27-20(24-17)14-6-4-9-21-12-14/h3-4,6-10,12-13H,2,5,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyYNILKXQLLUWGNS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.12
Rot. Bonds7

About N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide

N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide (PubChem CID 87026182) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
PubChem CID87026182
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C20H20N4O2S/c1-2-5-18(25)22-15-7-3-8-16(10-15)23-19(26)11-17-13-27-20(24-17)14-6-4-9-21-12-14/h3-4,6-10,12-13H,2,5,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyYNILKXQLLUWGNS-UHFFFAOYSA-N
XLogP4.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134019864

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide (CID 87026182) is N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
The InChIKey is YNILKXQLLUWGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-5-18(25)22-15-7-3-8-16(10-15)23-19(26)11-17-13-27-20(24-17)14-6-4-9-21-12-14/h3-4,6-10,12-13H,2,5,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide has a molecular weight of 380.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 87026182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).