N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide

C13H15N3O2S2 — CID 61218915

IUPACN-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nccs2)c(N)c1
InChIInChI=1S/C13H15N3O2S2/c1-8(20-13-15-5-6-19-13)12(17)16-11-4-3-9(18-2)7-10(11)14/h3-8H,14H2,1-2H3,(H,16,17)
InChIKeyGFBMSXNVQJKAAC-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.85
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide

N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide (PubChem CID 61218915) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
PubChem CID61218915
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nccs2)c(N)c1
InChIInChI=1S/C13H15N3O2S2/c1-8(20-13-15-5-6-19-13)12(17)16-11-4-3-9(18-2)7-10(11)14/h3-8H,14H2,1-2H3,(H,16,17)
InChIKeyGFBMSXNVQJKAAC-UHFFFAOYSA-N
XLogP2.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
CID 63380463
N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 47365076
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
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N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
(2S)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196767
(2R)-N-(2-nitrophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 94196768
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 129367933
N-(2-amino-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748299
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935663

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide (CID 61218915) is N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide is COc1ccc(NC(=O)C(C)Sc2nccs2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The InChIKey is GFBMSXNVQJKAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8(20-13-15-5-6-19-13)12(17)16-11-4-3-9(18-2)7-10(11)14/h3-8H,14H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide has a molecular weight of 309.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 61218915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).