4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide

C15H21N5O2S — CID 67509103

IUPAC4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCOCC(N)CNc1ccc(C(N)=O)c(Nc2cc(C)ns2)c1
InChIInChI=1S/C15H21N5O2S/c1-9-5-14(23-20-9)19-13-6-11(3-4-12(13)15(17)21)18-7-10(16)8-22-2/h3-6,10,18-19H,7-8,16H2,1-2H3,(H2,17,21)
InChIKeyAETYXSKNVIHSNK-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.68
Rot. Bonds8

About 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide

4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (PubChem CID 67509103) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
PubChem CID67509103
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCOCC(N)CNc1ccc(C(N)=O)c(Nc2cc(C)ns2)c1
InChIInChI=1S/C15H21N5O2S/c1-9-5-14(23-20-9)19-13-6-11(3-4-12(13)15(17)21)18-7-10(16)8-22-2/h3-6,10,18-19H,7-8,16H2,1-2H3,(H2,17,21)
InChIKeyAETYXSKNVIHSNK-UHFFFAOYSA-N
XLogP1.68
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 69283632
4-[[(1R)-2-amino-2-oxo-1-phenylmethoxyethyl]amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 129192269
tert-butyl N-[(1S,2R)-2-[4-carbamoyl-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]cyclohexyl]carbamate
CID 69284440
2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-[[(3S)-2-oxoazepan-3-yl]amino]benzamide
CID 129386817
2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide
CID 67510273
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
4-[[1-amino-3-(3-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67509547
2-[(2-amino-3-methoxypropyl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide
CID 67289468
4-[[(2R)-1-amino-3-(4-methylsulfonylphenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 57335687
4-[[(2R)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 69284962
2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
CID 142786034
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The IUPAC name of 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (CID 67509103) is 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.
What is the SMILES notation for 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The canonical SMILES for 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is COCC(N)CNc1ccc(C(N)=O)c(Nc2cc(C)ns2)c1.
What is the InChIKey of 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The InChIKey is AETYXSKNVIHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9-5-14(23-20-9)19-13-6-11(3-4-12(13)15(17)21)18-7-10(16)8-22-2/h3-6,10,18-19H,7-8,16H2,1-2H3,(H2,17,21).
What are the key properties of 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide has a molecular weight of 335.43 g/mol, XLogP of 1.68, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is sourced from PubChem (CID 67509103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).