N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C12H21N3O3S — CID 103840113

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H21N3O3S/c1-9-6-19-11(17)15(9)5-10(16)13-7-12(2,18)8-14(3)4/h6,18H,5,7-8H2,1-4H3,(H,13,16)
InChIKeyGCGDJALKVSHTIT-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.35
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 103840113) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID103840113
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H21N3O3S/c1-9-6-19-11(17)15(9)5-10(16)13-7-12(2,18)8-14(3)4/h6,18H,5,7-8H2,1-4H3,(H,13,16)
InChIKeyGCGDJALKVSHTIT-UHFFFAOYSA-N
XLogP-0.35
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16272650
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 16384335
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17461015
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980907
N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980908
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 31715862
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35353647
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35362291
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43354501
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43393613

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 103840113) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is GCGDJALKVSHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-6-19-11(17)15(9)5-10(16)13-7-12(2,18)8-14(3)4/h6,18H,5,7-8H2,1-4H3,(H,13,16).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 287.38 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 103840113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).