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

C18H13F4N5O3S — CID 156895536

IUPAC5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
SMILESNc1nc(Nc2ccc(F)c(F)c2)sc1C(=O)c1cc(C(=O)NC2CC(F)(F)C2)no1
InChIInChI=1S/C18H13F4N5O3S/c19-9-2-1-7(3-10(9)20)25-17-26-15(23)14(31-17)13(28)12-4-11(27-30-12)16(29)24-8-5-18(21,22)6-8/h1-4,8H,5-6,23H2,(H,24,29)(H,25,26)
InChIKeyQLNBQRFVLXHJML-UHFFFAOYSA-N
MW455.39 g/mol
LogP3.49
Rot. Bonds6

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

5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide (PubChem CID 156895536) has the molecular formula C18H13F4N5O3S and a molecular weight of 455.39 g/mol. Its IUPAC name is 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
PubChem CID156895536
Molecular FormulaC18H13F4N5O3S
Molecular Weight455.39 g/mol
Exact Mass455.07
IUPAC Name5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
SMILESNc1nc(Nc2ccc(F)c(F)c2)sc1C(=O)c1cc(C(=O)NC2CC(F)(F)C2)no1
InChIInChI=1S/C18H13F4N5O3S/c19-9-2-1-7(3-10(9)20)25-17-26-15(23)14(31-17)13(28)12-4-11(27-30-12)16(29)24-8-5-18(21,22)6-8/h1-4,8H,5-6,23H2,(H,24,29)(H,25,26)
InChIKeyQLNBQRFVLXHJML-UHFFFAOYSA-N
XLogP3.49
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

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-[[(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
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
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[1-(azetidin-3-yl)ethyl]benzamide
CID 22731045
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10140140

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide (CID 156895536) is 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide is Nc1nc(Nc2ccc(F)c(F)c2)sc1C(=O)c1cc(C(=O)NC2CC(F)(F)C2)no1.
What is the InChIKey of 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QLNBQRFVLXHJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5O3S/c19-9-2-1-7(3-10(9)20)25-17-26-15(23)14(31-17)13(28)12-4-11(27-30-12)16(29)24-8-5-18(21,22)6-8/h1-4,8H,5-6,23H2,(H,24,29)(H,25,26).
What are the key properties of 5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
5-[4-amino-2-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 3.49, 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-(3,4-difluoroanilino)-1,3-thiazole-5-carbonyl]-N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156895536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).