2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide

C14H17N3O2S — CID 62473394

IUPAC2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCOCCC(N)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H17N3O2S/c1-19-8-6-12(15)13(18)17-11-4-2-10(3-5-11)14-16-7-9-20-14/h2-5,7,9,12H,6,8,15H2,1H3,(H,17,18)
InChIKeyXZYQGRCXIYYQTF-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.11
Rot. Bonds6

About 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide

2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 62473394) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID62473394
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCOCCC(N)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H17N3O2S/c1-19-8-6-12(15)13(18)17-11-4-2-10(3-5-11)14-16-7-9-20-14/h2-5,7,9,12H,6,8,15H2,1H3,(H,17,18)
InChIKeyXZYQGRCXIYYQTF-UHFFFAOYSA-N
XLogP2.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide 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

4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide (CID 62473394) is 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide is COCCC(N)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is XZYQGRCXIYYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-8-6-12(15)13(18)17-11-4-2-10(3-5-11)14-16-7-9-20-14/h2-5,7,9,12H,6,8,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide?
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 291.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 62473394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).