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

C14H17N3O2S — CID 106112438

IUPAC3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCOC(CN)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9-16-12(8-20-9)10-3-5-11(6-4-10)17-14(18)13(7-15)19-2/h3-6,8,13H,7,15H2,1-2H3,(H,17,18)
InChIKeyBNPFXNWFOGVTKA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.03
Rot. Bonds5

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

3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 106112438) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID106112438
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCOC(CN)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9-16-12(8-20-9)10-3-5-11(6-4-10)17-14(18)13(7-15)19-2/h3-6,8,13H,7,15H2,1-2H3,(H,17,18)
InChIKeyBNPFXNWFOGVTKA-UHFFFAOYSA-N
XLogP2.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 120587411
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 106112438) is 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is COC(CN)C(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is BNPFXNWFOGVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-16-12(8-20-9)10-3-5-11(6-4-10)17-14(18)13(7-15)19-2/h3-6,8,13H,7,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 106112438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).