N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide

C7H9N3O2S — CID 63036164

IUPACN-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cscn1
InChIInChI=1S/C7H9N3O2S/c1-10(2-6(8)11)7(12)5-3-13-4-9-5/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyKTOLOOASLFMFKW-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.30
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 63036164) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID63036164
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cscn1
InChIInChI=1S/C7H9N3O2S/c1-10(2-6(8)11)7(12)5-3-13-4-9-5/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyKTOLOOASLFMFKW-UHFFFAOYSA-N
XLogP-0.30
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazole-4-carboxamide
CID 445276
2-(1-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 485048
N-(prop-2-yn-1-yl)thiazole-4-carboxamide
CID 63024101
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 62046160
N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 96463062
(s)-(N-(3-trifluoroacetyl))-2-(1-acetamidoethyl) thiazole-4-carboxamide
CID 168059171
2-(2-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 3890422
2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346804
N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 63022016

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 63036164) is N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(N)=O)C(=O)c1cscn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KTOLOOASLFMFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-10(2-6(8)11)7(12)5-3-13-4-9-5/h3-4H,2H2,1H3,(H2,8,11).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 199.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63036164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).