1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone

C11H11N3OS — CID 82290120

IUPAC1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(NCc2ccncc2)n1
InChIInChI=1S/C11H11N3OS/c1-8(15)10-7-16-11(14-10)13-6-9-2-4-12-5-3-9/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyQUQCORHUECWNMK-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone

1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone (PubChem CID 82290120) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone
PubChem CID82290120
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(NCc2ccncc2)n1
InChIInChI=1S/C11H11N3OS/c1-8(15)10-7-16-11(14-10)13-6-9-2-4-12-5-3-9/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyQUQCORHUECWNMK-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
CID 131020021
ethyl 2-[(4-bromophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567799
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 50965898
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
2-[(3-methylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80569053
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 46697258
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone (CID 82290120) is 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(NCc2ccncc2)n1.
What is the InChIKey of 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is QUQCORHUECWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8(15)10-7-16-11(14-10)13-6-9-2-4-12-5-3-9/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone?
1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 233.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82290120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).