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

C13H15N3OS — CID 27648148

IUPACN-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)NC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H15N3OS/c1-9(2)15-12(17)7-10-8-18-13(16-10)11-5-3-4-6-14-11/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyGRLDRQFVOZWYEN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.27
Rot. Bonds4

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

N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 27648148) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID27648148
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)NC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H15N3OS/c1-9(2)15-12(17)7-10-8-18-13(16-10)11-5-3-4-6-14-11/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyGRLDRQFVOZWYEN-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26193084
N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 126818688
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55582407
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 27648148) is N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)NC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GRLDRQFVOZWYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(2)15-12(17)7-10-8-18-13(16-10)11-5-3-4-6-14-11/h3-6,8-9H,7H2,1-2H3,(H,15,17).
What are the key properties of N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 27648148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).