N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide

C9H13N3O2S — CID 70669403

IUPACN-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCC(=O)N(C)C)s1
InChIInChI=1S/C9H13N3O2S/c1-6-4-11-9(15-6)8(14)10-5-7(13)12(2)3/h4H,5H2,1-3H3,(H,10,14)
InChIKeyMTHHXUZFLOSAQG-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.27
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 70669403) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID70669403
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCC(=O)N(C)C)s1
InChIInChI=1S/C9H13N3O2S/c1-6-4-11-9(15-6)8(14)10-5-7(13)12(2)3/h4H,5H2,1-3H3,(H,10,14)
InChIKeyMTHHXUZFLOSAQG-UHFFFAOYSA-N
XLogP0.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methyl-1,3-thiazole-2-carbonyl)amino]acetic acid
CID 70669434
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
2-[[N'-benzyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111796884
CID 45480495
CID 45480495
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
N,N-dimethyl-2-[[N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 119133045
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 31785131
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904
2-(5-methyl-1,3-thiazol-2-yl)-2-oxoacetic acid
CID 82412165
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide (CID 70669403) is N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NCC(=O)N(C)C)s1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is MTHHXUZFLOSAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-4-11-9(15-6)8(14)10-5-7(13)12(2)3/h4H,5H2,1-3H3,(H,10,14).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70669403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).