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

C15H19N3O2S — CID 120590818

IUPAC4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-10-9-21-15(17-10)11-3-5-12(6-4-11)18-14(19)7-13(8-16)20-2/h3-6,9,13H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyOPULCYPIGLFJAP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.42
Rot. Bonds6

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

4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 120590818) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID120590818
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-10-9-21-15(17-10)11-3-5-12(6-4-11)18-14(19)7-13(8-16)20-2/h3-6,9,13H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyOPULCYPIGLFJAP-UHFFFAOYSA-N
XLogP2.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 120587411
2-(2-methoxyethylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]acetamide;hydrochloride
CID 119759369
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 120588959
4-amino-3-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 103154918
4-amino-3-methoxy-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]butanamide
CID 120593856
4-amino-3-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide;hydrochloride
CID 120590715
4-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methoxybutanamide
CID 120587004
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide (CID 120590818) is 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is OPULCYPIGLFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-9-21-15(17-10)11-3-5-12(6-4-11)18-14(19)7-13(8-16)20-2/h3-6,9,13H,7-8,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide?
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 305.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 120590818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).