(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide

C19H17FN6OS — CID 67508724

IUPAC(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide
SMILESCc1cc(Nc2cc(N[C@H](Cc3ccccn3)C(N)=O)c(F)cc2C#N)sn1
InChIInChI=1S/C19H17FN6OS/c1-11-6-18(28-26-11)25-15-9-16(14(20)7-12(15)10-21)24-17(19(22)27)8-13-4-2-3-5-23-13/h2-7,9,17,24-25H,8H2,1H3,(H2,22,27)/t17-/m1/s1
InChIKeyFQIQQUPDFUFOER-QGZVFWFLSA-N
MW396.45 g/mol
LogP3.11
Rot. Bonds7

About (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide

(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide (PubChem CID 67508724) has the molecular formula C19H17FN6OS and a molecular weight of 396.45 g/mol. Its IUPAC name is (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide
PubChem CID67508724
Molecular FormulaC19H17FN6OS
Molecular Weight396.45 g/mol
Exact Mass396.12
IUPAC Name(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide
SMILESCc1cc(Nc2cc(N[C@H](Cc3ccccn3)C(N)=O)c(F)cc2C#N)sn1
InChIInChI=1S/C19H17FN6OS/c1-11-6-18(28-26-11)25-15-9-16(14(20)7-12(15)10-21)24-17(19(22)27)8-13-4-2-3-5-23-13/h2-7,9,17,24-25H,8H2,1H3,(H2,22,27)/t17-/m1/s1
InChIKeyFQIQQUPDFUFOER-QGZVFWFLSA-N
XLogP3.11
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(2R)-1-amino-1-oxo-3-(4-pyridin-4-ylphenyl)propan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide;(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-(4-pyridin-4-ylphenyl)propanamide;(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-(4-pyridin-4-ylphenyl)propanamide;hydrogen peroxide;3-methyl-1,2-thiazol-5-amine
CID 159901898
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-[4-cyano-3-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]propanamide
CID 67510273
2-[[5-cyano-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-2-yl]-methylamino]butanamide
CID 123215768
(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide
CID 67508329
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
5-[(1-amino-4,4-difluoro-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 78116895
2-(4-chlorophenyl)-N-(2-cyanophenyl)-3-pyridin-2-ylpropanamide
CID 110296725
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
2-[(1-amino-1-oxobutan-2-yl)amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 78119074
2-(3-aminobut-2-enethioylamino)-4-[[(2R)-1-amino-1-oxo-3-(4-pyridin-2-ylphenyl)propan-2-yl]amino]-5-fluorobenzamide
CID 163687131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide?
The IUPAC name of (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide (CID 67508724) is (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide?
The canonical SMILES for (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide is Cc1cc(Nc2cc(N[C@H](Cc3ccccn3)C(N)=O)c(F)cc2C#N)sn1.
What is the InChIKey of (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide?
The InChIKey is FQIQQUPDFUFOER-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17FN6OS/c1-11-6-18(28-26-11)25-15-9-16(14(20)7-12(15)10-21)24-17(19(22)27)8-13-4-2-3-5-23-13/h2-7,9,17,24-25H,8H2,1H3,(H2,22,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide?
(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide has a molecular weight of 396.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 67508724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).