2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide

C12H13N3OS — CID 141271026

IUPAC2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(N)s1
InChIInChI=1S/C12H13N3OS/c1-2-8-5-3-4-6-9(8)15-11(16)10-7-14-12(13)17-10/h3-7H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyFLAIZQLCXWTTMK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 141271026) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID141271026
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(N)s1
InChIInChI=1S/C12H13N3OS/c1-2-8-5-3-4-6-9(8)15-11(16)10-7-14-12(13)17-10/h3-7H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyFLAIZQLCXWTTMK-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103805568
2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 141271011
2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 88855816
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
CID 159085381
2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21137618

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide (CID 141271026) is 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FLAIZQLCXWTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-8-5-3-4-6-9(8)15-11(16)10-7-14-12(13)17-10/h3-7H,2H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141271026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).