N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide

C20H24FN3O3S — CID 171909895

IUPACN-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)[C@H]1CCCO1)c1nc(C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C20H24FN3O3S/c1-12(2)10-15(23-19(26)17-4-3-9-27-17)20-24-16(11-28-20)18(25)22-14-7-5-13(21)6-8-14/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)/t15-,17-/m1/s1
InChIKeyHQNPAOCEVJWPDI-NVXWUHKLSA-N
MW405.50 g/mol
LogP3.92
Rot. Bonds7

About N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide

N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide (PubChem CID 171909895) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide
PubChem CID171909895
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)[C@H]1CCCO1)c1nc(C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C20H24FN3O3S/c1-12(2)10-15(23-19(26)17-4-3-9-27-17)20-24-16(11-28-20)18(25)22-14-7-5-13(21)6-8-14/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)/t15-,17-/m1/s1
InChIKeyHQNPAOCEVJWPDI-NVXWUHKLSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide (CID 171909895) is N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide is CC(C)C[C@@H](NC(=O)[C@H]1CCCO1)c1nc(C(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HQNPAOCEVJWPDI-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-12(2)10-15(23-19(26)17-4-3-9-27-17)20-24-16(11-28-20)18(25)22-14-7-5-13(21)6-8-14/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)/t15-,17-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(1R)-3-methyl-1-[[(2R)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171909895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).