2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C26H27F2N3O3S — CID 123310159

IUPAC2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(=O)N(C1CCCC1)C(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1
InChIInChI=1S/C26H27F2N3O3S/c1-16(32)31(20-6-4-5-7-20)26(2,3)24(33)30-25-29-22(17-8-10-18(27)11-9-17)23(35-25)34-21-14-12-19(28)13-15-21/h8-15,20H,4-7H2,1-3H3,(H,29,30,33)
InChIKeyNBNGQRSEVWMKKL-UHFFFAOYSA-N
MW499.58 g/mol
LogP6.39
Rot. Bonds7

About 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 123310159) has the molecular formula C26H27F2N3O3S and a molecular weight of 499.58 g/mol. Its IUPAC name is 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID123310159
Molecular FormulaC26H27F2N3O3S
Molecular Weight499.58 g/mol
Exact Mass499.17
IUPAC Name2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(=O)N(C1CCCC1)C(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1
InChIInChI=1S/C26H27F2N3O3S/c1-16(32)31(20-6-4-5-7-20)26(2,3)24(33)30-25-29-22(17-8-10-18(27)11-9-17)23(35-25)34-21-14-12-19(28)13-15-21/h8-15,20H,4-7H2,1-3H3,(H,29,30,33)
InChIKeyNBNGQRSEVWMKKL-UHFFFAOYSA-N
XLogP6.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide 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 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 123310159) is 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(=O)N(C1CCCC1)C(C)(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1.
What is the InChIKey of 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is NBNGQRSEVWMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3S/c1-16(32)31(20-6-4-5-7-20)26(2,3)24(33)30-25-29-22(17-8-10-18(27)11-9-17)23(35-25)34-21-14-12-19(28)13-15-21/h8-15,20H,4-7H2,1-3H3,(H,29,30,33).
What are the key properties of 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 499.58 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopentyl)amino]-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 123310159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).