[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone

C21H24FN5O2S — CID 156895505

IUPAC[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone
SMILESCC1(C)CCC(NCc2cc(C(=O)c3sc(Nc4ccc(F)cc4)nc3N)on2)C1
InChIInChI=1S/C21H24FN5O2S/c1-21(2)8-7-14(10-21)24-11-15-9-16(29-27-15)17(28)18-19(23)26-20(30-18)25-13-5-3-12(22)4-6-13/h3-6,9,14,24H,7-8,10-11,23H2,1-2H3,(H,25,26)
InChIKeyMUECBGMAAVBPLC-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.50
Rot. Bonds7

About [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone

[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone (PubChem CID 156895505) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone
PubChem CID156895505
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone
SMILESCC1(C)CCC(NCc2cc(C(=O)c3sc(Nc4ccc(F)cc4)nc3N)on2)C1
InChIInChI=1S/C21H24FN5O2S/c1-21(2)8-7-14(10-21)24-11-15-9-16(29-27-15)17(28)18-19(23)26-20(30-18)25-13-5-3-12(22)4-6-13/h3-6,9,14,24H,7-8,10-11,23H2,1-2H3,(H,25,26)
InChIKeyMUECBGMAAVBPLC-UHFFFAOYSA-N
XLogP4.50
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide
CID 167435971
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 168771303
5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 156895536
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589
(2R)-2-(N-[4-amino-5-[3-(hydroxymethyl)-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175848875
2-(N-[4-amino-5-[3-[[cyclopentyl(methyl)amino]methyl]-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 156895464
5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2,2-dimethylcyclopentyl)-1,2-oxazole-3-carboxamide
CID 156895430
2-(N-[4-amino-5-[3-[(3,3-difluoroazetidin-1-yl)methyl]-1,2-oxazole-5-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 156895470
5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 175848843
5-[4-amino-2-(N-[(2R)-1-amino-1-oxopropan-2-yl]-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(1,3-difluoropropan-2-yl)-1,2-oxazole-3-carboxamide
CID 175848852
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone (CID 156895505) is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone is CC1(C)CCC(NCc2cc(C(=O)c3sc(Nc4ccc(F)cc4)nc3N)on2)C1.
What is the InChIKey of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone?
The InChIKey is MUECBGMAAVBPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-21(2)8-7-14(10-21)24-11-15-9-16(29-27-15)17(28)18-19(23)26-20(30-18)25-13-5-3-12(22)4-6-13/h3-6,9,14,24H,7-8,10-11,23H2,1-2H3,(H,25,26).
What are the key properties of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone?
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 156895505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).