N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide

C19H16N4OS — CID 110389703

IUPACN-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESN#Cc1cccc(NC(=O)Cc2csc(CCc3ccncc3)n2)c1
InChIInChI=1S/C19H16N4OS/c20-12-15-2-1-3-16(10-15)22-18(24)11-17-13-25-19(23-17)5-4-14-6-8-21-9-7-14/h1-3,6-10,13H,4-5,11H2,(H,22,24)
InChIKeyXDYONVMJMFNYKQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.38
Rot. Bonds6

About N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide

N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110389703) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110389703
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESN#Cc1cccc(NC(=O)Cc2csc(CCc3ccncc3)n2)c1
InChIInChI=1S/C19H16N4OS/c20-12-15-2-1-3-16(10-15)22-18(24)11-17-13-25-19(23-17)5-4-14-6-8-21-9-7-14/h1-3,6-10,13H,4-5,11H2,(H,22,24)
InChIKeyXDYONVMJMFNYKQ-UHFFFAOYSA-N
XLogP3.38
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110374780
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
N-(4-methoxyphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389689
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683
2-[2-[(3-cyanoanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82124046
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide (CID 110389703) is N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide is N#Cc1cccc(NC(=O)Cc2csc(CCc3ccncc3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is XDYONVMJMFNYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c20-12-15-2-1-3-16(10-15)22-18(24)11-17-13-25-19(23-17)5-4-14-6-8-21-9-7-14/h1-3,6-10,13H,4-5,11H2,(H,22,24).
What are the key properties of N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110389703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).