1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone

C11H10N2OS — CID 159085381

IUPAC1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
SMILESNc1ncc(C(=O)Cc2ccccc2)s1
InChIInChI=1S/C11H10N2OS/c12-11-13-7-10(15-11)9(14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13)
InChIKeyKBJPFNYXPJUGTJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone

1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone (PubChem CID 159085381) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
PubChem CID159085381
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
SMILESNc1ncc(C(=O)Cc2ccccc2)s1
InChIInChI=1S/C11H10N2OS/c12-11-13-7-10(15-11)9(14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13)
InChIKeyKBJPFNYXPJUGTJ-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
CID 170550057
(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane
CID 91203286
2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 86648025
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
CID 159241460
2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 125439790
1-[2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-2-phenylethanone
CID 157150025
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
1-isoquinolin-3-yl-2-phenylethanone
CID 15828622
1-(3,5-dimethyl-1,2-thiazol-4-yl)-2-phenylethanone
CID 14042844
CID 140615656
CID 140615656

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone (CID 159085381) is 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone is Nc1ncc(C(=O)Cc2ccccc2)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone?
The InChIKey is KBJPFNYXPJUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-11-13-7-10(15-11)9(14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone?
1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone has a molecular weight of 218.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone is sourced from PubChem (CID 159085381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).