2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide

C17H19F2N3O2S — CID 87490517

IUPAC2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1nc(C(C)(C)F)c(C(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C17H19F2N3O2S/c1-16(2,19)13-12(11(23)9-5-7-10(18)8-6-9)25-15(21-13)22-14(24)17(3,4)20/h5-8H,20H2,1-4H3,(H,21,22,24)
InChIKeyKHAWCBUBQSRPIP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.39
Rot. Bonds5

About 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide

2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 87490517) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID87490517
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1nc(C(C)(C)F)c(C(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C17H19F2N3O2S/c1-16(2,19)13-12(11(23)9-5-7-10(18)8-6-9)25-15(21-13)22-14(24)17(3,4)20/h5-8H,20H2,1-4H3,(H,21,22,24)
InChIKeyKHAWCBUBQSRPIP-UHFFFAOYSA-N
XLogP3.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 87490517) is 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1nc(C(C)(C)F)c(C(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is KHAWCBUBQSRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-16(2,19)13-12(11(23)9-5-7-10(18)8-6-9)25-15(21-13)22-14(24)17(3,4)20/h5-8H,20H2,1-4H3,(H,21,22,24).
What are the key properties of 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide?
2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 367.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 87490517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).