N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C18H23N3OS — CID 17449429

IUPACN-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCCC1
InChIInChI=1S/C18H23N3OS/c22-17(20-14-8-4-2-1-3-5-9-14)12-15-13-23-18(21-15)16-10-6-7-11-19-16/h6-7,10-11,13-14H,1-5,8-9,12H2,(H,20,22)
InChIKeyWXYZORGLNWVTJZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.98
Rot. Bonds4

About N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 17449429) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID17449429
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCCC1
InChIInChI=1S/C18H23N3OS/c22-17(20-14-8-4-2-1-3-5-9-14)12-15-13-23-18(21-15)16-10-6-7-11-19-16/h6-7,10-11,13-14H,1-5,8-9,12H2,(H,20,22)
InChIKeyWXYZORGLNWVTJZ-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563691
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[(2-hydroxycyclopentyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111464114
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 119461328
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 17449429) is N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WXYZORGLNWVTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-17(20-14-8-4-2-1-3-5-9-14)12-15-13-23-18(21-15)16-10-6-7-11-19-16/h6-7,10-11,13-14H,1-5,8-9,12H2,(H,20,22).
What are the key properties of N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 17449429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).