1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone

C8H13N3OS — CID 55271804

IUPAC1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone
SMILESCc1nc(N)sc1C(=O)CN(C)C
InChIInChI=1S/C8H13N3OS/c1-5-7(13-8(9)10-5)6(12)4-11(2)3/h4H2,1-3H3,(H2,9,10)
InChIKeyFLZUTMRZOZLAGA-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.78
Rot. Bonds3

About 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone

1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone (PubChem CID 55271804) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone
PubChem CID55271804
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone
SMILESCc1nc(N)sc1C(=O)CN(C)C
InChIInChI=1S/C8H13N3OS/c1-5-7(13-8(9)10-5)6(12)4-11(2)3/h4H2,1-3H3,(H2,9,10)
InChIKeyFLZUTMRZOZLAGA-UHFFFAOYSA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-tert-butylamino]acetic acid
CID 79268319
2-amino-N-(2-methoxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62794301
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]butanoic acid
CID 62794653
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
2-amino-N-cyclopentyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62794073
ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate
CID 62792408
2-[[[5-[2-(dimethylamino)acetyl]-4-methyl-1,3-thiazol-2-yl]amino]methylidene]propanedinitrile
CID 170895780
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone (CID 55271804) is 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone is Cc1nc(N)sc1C(=O)CN(C)C.
What is the InChIKey of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone?
The InChIKey is FLZUTMRZOZLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5-7(13-8(9)10-5)6(12)4-11(2)3/h4H2,1-3H3,(H2,9,10).
What are the key properties of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone?
1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone has a molecular weight of 199.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 55271804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).