4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide

C14H17N3O2S — CID 43789045

IUPAC4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)c1scnc1C
InChIInChI=1S/C14H17N3O2S/c1-8-13(20-7-16-8)9(2)17-11-6-10(14(15)18)4-5-12(11)19-3/h4-7,9,17H,1-3H3,(H2,15,18)
InChIKeyKAHWOVKUZNXUKT-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.73
Rot. Bonds5

About 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide

4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide (PubChem CID 43789045) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
PubChem CID43789045
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(C)c1scnc1C
InChIInChI=1S/C14H17N3O2S/c1-8-13(20-7-16-8)9(2)17-11-6-10(14(15)18)4-5-12(11)19-3/h4-7,9,17H,1-3H3,(H2,15,18)
InChIKeyKAHWOVKUZNXUKT-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63992893
N,4-dimethyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43787391
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103411305
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
CID 115928738
2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
CID 43786501
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43779859
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The IUPAC name of 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide (CID 43789045) is 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide is COc1ccc(C(N)=O)cc1NC(C)c1scnc1C.
What is the InChIKey of 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
The InChIKey is KAHWOVKUZNXUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-13(20-7-16-8)9(2)17-11-6-10(14(15)18)4-5-12(11)19-3/h4-7,9,17H,1-3H3,(H2,15,18).
What are the key properties of 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide?
4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide has a molecular weight of 291.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 43789045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).