2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide

C13H15N3O2S — CID 118011175

IUPAC2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1nc(Nc2ccccc2)sc1OC
InChIInChI=1S/C13H15N3O2S/c1-3-14-11(17)10-12(18-2)19-13(16-10)15-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMUECZNVUFJYUOF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.64
Rot. Bonds5

About 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide

2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide (PubChem CID 118011175) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide
PubChem CID118011175
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1nc(Nc2ccccc2)sc1OC
InChIInChI=1S/C13H15N3O2S/c1-3-14-11(17)10-12(18-2)19-13(16-10)15-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMUECZNVUFJYUOF-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
methyl 4-[(4-phenyl-5-propyl-1,3-thiazol-2-yl)amino]benzoate
CID 1111717
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 42925867
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10851198
methyl 2-anilino-5-methoxy-1,3-benzothiazole-6-carboxylate
CID 82548339

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide (CID 118011175) is 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide is CCNC(=O)c1nc(Nc2ccccc2)sc1OC.
What is the InChIKey of 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide?
The InChIKey is MUECZNVUFJYUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-14-11(17)10-12(18-2)19-13(16-10)15-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide?
2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118011175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).