4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide

C17H22FN5O2S — CID 67508664

IUPAC4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1cc(Nc2cc(N[C@H](CC(C)C)C(N)=O)cc(F)c2C(N)=O)sn1
InChIInChI=1S/C17H22FN5O2S/c1-8(2)4-13(16(19)24)21-10-6-11(18)15(17(20)25)12(7-10)22-14-5-9(3)23-26-14/h5-8,13,21-22H,4H2,1-3H3,(H2,19,24)(H2,20,25)/t13-/m1/s1
InChIKeyAVIZZYOPMXRHSQ-CYBMUJFWSA-N
MW379.46 g/mol
LogP2.75
Rot. Bonds8

About 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide

4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (PubChem CID 67508664) has the molecular formula C17H22FN5O2S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
PubChem CID67508664
Molecular FormulaC17H22FN5O2S
Molecular Weight379.46 g/mol
Exact Mass379.15
IUPAC Name4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1cc(Nc2cc(N[C@H](CC(C)C)C(N)=O)cc(F)c2C(N)=O)sn1
InChIInChI=1S/C17H22FN5O2S/c1-8(2)4-13(16(19)24)21-10-6-11(18)15(17(20)25)12(7-10)22-14-5-9(3)23-26-14/h5-8,13,21-22H,4H2,1-3H3,(H2,19,24)(H2,20,25)/t13-/m1/s1
InChIKeyAVIZZYOPMXRHSQ-CYBMUJFWSA-N
XLogP2.75
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The IUPAC name of 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (CID 67508664) is 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.
What is the SMILES notation for 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The canonical SMILES for 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is Cc1cc(Nc2cc(N[C@H](CC(C)C)C(N)=O)cc(F)c2C(N)=O)sn1.
What is the InChIKey of 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The InChIKey is AVIZZYOPMXRHSQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22FN5O2S/c1-8(2)4-13(16(19)24)21-10-6-11(18)15(17(20)25)12(7-10)22-14-5-9(3)23-26-14/h5-8,13,21-22H,4H2,1-3H3,(H2,19,24)(H2,20,25)/t13-/m1/s1.
What are the key properties of 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is sourced from PubChem (CID 67508664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).