N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide

C7H11N3O2S — CID 131203421

IUPACN-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCCONC(=O)c1csc(NC)n1
InChIInChI=1S/C7H11N3O2S/c1-3-12-10-6(11)5-4-13-7(8-2)9-5/h4H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyUAJSZYYXFQUHPU-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.87
Rot. Bonds4

About N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide

N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 131203421) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID131203421
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCCONC(=O)c1csc(NC)n1
InChIInChI=1S/C7H11N3O2S/c1-3-12-10-6(11)5-4-13-7(8-2)9-5/h4H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyUAJSZYYXFQUHPU-UHFFFAOYSA-N
XLogP0.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide
CID 130927332
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
N-ethoxy-1,3-oxazole-4-carboxamide
CID 130637813
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 131203421) is N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide is CCONC(=O)c1csc(NC)n1.
What is the InChIKey of N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UAJSZYYXFQUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-12-10-6(11)5-4-13-7(8-2)9-5/h4H,3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131203421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).