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

C13H15N5O2S — CID 69283632

IUPAC4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1cc(Nc2cc(NCC(N)=O)ccc2C(N)=O)sn1
InChIInChI=1S/C13H15N5O2S/c1-7-4-12(21-18-7)17-10-5-8(16-6-11(14)19)2-3-9(10)13(15)20/h2-5,16-17H,6H2,1H3,(H2,14,19)(H2,15,20)
InChIKeyNKHDONGAISNVEH-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.19
Rot. Bonds6

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

4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (PubChem CID 69283632) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
PubChem CID69283632
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1cc(Nc2cc(NCC(N)=O)ccc2C(N)=O)sn1
InChIInChI=1S/C13H15N5O2S/c1-7-4-12(21-18-7)17-10-5-8(16-6-11(14)19)2-3-9(10)13(15)20/h2-5,16-17H,6H2,1H3,(H2,14,19)(H2,15,20)
InChIKeyNKHDONGAISNVEH-UHFFFAOYSA-N
XLogP1.19
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67509103
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-(3,4-dimethylanilino)acetamide
CID 28580413
2-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide
CID 67510273
4-[[(2R)-1-amino-3-(2-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67514822
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
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878
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
6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide
CID 67508561

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The IUPAC name of 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (CID 69283632) is 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is Cc1cc(Nc2cc(NCC(N)=O)ccc2C(N)=O)sn1.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The InChIKey is NKHDONGAISNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-7-4-12(21-18-7)17-10-5-8(16-6-11(14)19)2-3-9(10)13(15)20/h2-5,16-17H,6H2,1H3,(H2,14,19)(H2,15,20).
What are the key properties of 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is sourced from PubChem (CID 69283632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).