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

C10H16N2OS — CID 105466261

IUPAC2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C(C)(C)C)sc1C(=O)CN
InChIInChI=1S/C10H16N2OS/c1-6-8(7(13)5-11)14-9(12-6)10(2,3)4/h5,11H2,1-4H3
InChIKeyJSYSWUKGYNAUJA-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.89
Rot. Bonds2

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

2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 105466261) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID105466261
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C(C)(C)C)sc1C(=O)CN
InChIInChI=1S/C10H16N2OS/c1-6-8(7(13)5-11)14-9(12-6)10(2,3)4/h5,11H2,1-4H3
InChIKeyJSYSWUKGYNAUJA-UHFFFAOYSA-N
XLogP1.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
CID 97178760
(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 42958964
1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 96601787
2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 119205538
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
ethyl 2-tert-butyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 69475996
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146086451
methyl (E)-4-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]but-2-enoate
CID 146099714
(E)-2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]hex-4-enoic acid
CID 120692519

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone (CID 105466261) is 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone is Cc1nc(C(C)(C)C)sc1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is JSYSWUKGYNAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-8(7(13)5-11)14-9(12-6)10(2,3)4/h5,11H2,1-4H3.
What are the key properties of 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone?
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 212.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105466261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).