2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H17N3O3S — CID 62793426

IUPAC2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2sc(N)nc2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-12(21-14(15)16-9)13(18)17-10-3-5-11(6-4-10)20-8-7-19-2/h3-6H,7-8H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyMVHMFIMGTIMXRZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.31
Rot. Bonds6

About 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62793426) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62793426
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2sc(N)nc2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-12(21-14(15)16-9)13(18)17-10-3-5-11(6-4-10)20-8-7-19-2/h3-6H,7-8H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyMVHMFIMGTIMXRZ-UHFFFAOYSA-N
XLogP2.31
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62793257
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
(E)-3-[4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342282

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 62793426) is 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is COCCOc1ccc(NC(=O)c2sc(N)nc2C)cc1.
What is the InChIKey of 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MVHMFIMGTIMXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-12(21-14(15)16-9)13(18)17-10-3-5-11(6-4-10)20-8-7-19-2/h3-6H,7-8H2,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).