2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide

C13H15N3O2S — CID 81421138

IUPAC2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C13H15N3O2S/c1-7-8(2)19-13(15-7)16-12(17)11-9(14)5-4-6-10(11)18-3/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyKYFOLOQHPGUUAS-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.60
Rot. Bonds3

About 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide

2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide (PubChem CID 81421138) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide
PubChem CID81421138
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C13H15N3O2S/c1-7-8(2)19-13(15-7)16-12(17)11-9(14)5-4-6-10(11)18-3/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyKYFOLOQHPGUUAS-UHFFFAOYSA-N
XLogP2.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1147007
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxy-3-methylbenzamide
CID 110763421
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
CID 28824897
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 82344433
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide (CID 81421138) is 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide?
The InChIKey is KYFOLOQHPGUUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-8(2)19-13(15-7)16-12(17)11-9(14)5-4-6-10(11)18-3/h4-6H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide?
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide has a molecular weight of 277.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide is sourced from PubChem (CID 81421138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).