2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

C15H19N3O3S — CID 120984258

IUPAC2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOCC(N)C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H19N3O3S/c1-9-13(10-4-6-11(21-3)7-5-10)17-15(22-9)18-14(19)12(16)8-20-2/h4-7,12H,8,16H2,1-3H3,(H,17,18,19)
InChIKeyFXMLTCSMTIRHNE-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.04
Rot. Bonds6

About 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 120984258) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID120984258
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOCC(N)C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H19N3O3S/c1-9-13(10-4-6-11(21-3)7-5-10)17-15(22-9)18-14(19)12(16)8-20-2/h4-7,12H,8,16H2,1-3H3,(H,17,18,19)
InChIKeyFXMLTCSMTIRHNE-UHFFFAOYSA-N
XLogP2.04
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119677238
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990
(2S)-2-amino-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267011
(2S)-2-amino-3-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119267022
methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 120987195
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 120984258) is 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is COCC(N)C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is FXMLTCSMTIRHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-13(10-4-6-11(21-3)7-5-10)17-15(22-9)18-14(19)12(16)8-20-2/h4-7,12H,8,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 321.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 120984258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).