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

C12H13N3OS — CID 110317508

IUPACN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3OS/c1-9(16)13-7-5-12-15-11(8-17-12)10-4-2-3-6-14-10/h2-4,6,8H,5,7H2,1H3,(H,13,16)
InChIKeyBQDYAQFOWBCMTA-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.88
Rot. Bonds4

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

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110317508) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110317508
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3OS/c1-9(16)13-7-5-12-15-11(8-17-12)10-4-2-3-6-14-10/h2-4,6,8H,5,7H2,1H3,(H,13,16)
InChIKeyBQDYAQFOWBCMTA-UHFFFAOYSA-N
XLogP1.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 110317508) is N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is BQDYAQFOWBCMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9(16)13-7-5-12-15-11(8-17-12)10-4-2-3-6-14-10/h2-4,6,8H,5,7H2,1H3,(H,13,16).
What are the key properties of N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110317508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).