5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide

C19H16F3N5O3S — CID 167435971

IUPAC5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(C(=O)NC2CCC(F)(F)C2)no1
InChIInChI=1S/C19H16F3N5O3S/c20-9-1-3-10(4-2-9)25-18-26-16(23)15(31-18)14(28)13-7-12(27-30-13)17(29)24-11-5-6-19(21,22)8-11/h1-4,7,11H,5-6,8,23H2,(H,24,29)(H,25,26)
InChIKeyIMZPGTUZAAJWBG-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.74
Rot. Bonds6

About 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide

5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide (PubChem CID 167435971) has the molecular formula C19H16F3N5O3S and a molecular weight of 451.43 g/mol. Its IUPAC name is 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide
PubChem CID167435971
Molecular FormulaC19H16F3N5O3S
Molecular Weight451.43 g/mol
Exact Mass451.09
IUPAC Name5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(C(=O)NC2CCC(F)(F)C2)no1
InChIInChI=1S/C19H16F3N5O3S/c20-9-1-3-10(4-2-9)25-18-26-16(23)15(31-18)14(28)13-7-12(27-30-13)17(29)24-11-5-6-19(21,22)8-11/h1-4,7,11H,5-6,8,23H2,(H,24,29)(H,25,26)
InChIKeyIMZPGTUZAAJWBG-UHFFFAOYSA-N
XLogP3.74
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 156895536
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-[3-[[(3,3-dimethylcyclopentyl)amino]methyl]-1,2-oxazol-5-yl]methanone
CID 156895505
5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 156895518
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
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 168771303
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
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
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
5-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-[2-(trifluoromethoxy)ethyl]-1,2-oxazole-3-carboxamide
CID 156895431
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107364
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide (CID 167435971) is 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide is Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(C(=O)NC2CCC(F)(F)C2)no1.
What is the InChIKey of 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IMZPGTUZAAJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3S/c20-9-1-3-10(4-2-9)25-18-26-16(23)15(31-18)14(28)13-7-12(27-30-13)17(29)24-11-5-6-19(21,22)8-11/h1-4,7,11H,5-6,8,23H2,(H,24,29)(H,25,26).
What are the key properties of 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide?
5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide has a molecular weight of 451.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclopentyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167435971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).