2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide

C18H20FN3O2S — CID 95099206

IUPAC2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
SMILESC[C@@H](NC(=O)c1csc(C(=O)NC2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2S/c1-11(12-6-8-13(19)9-7-12)20-16(23)15-10-25-18(22-15)17(24)21-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyDVUWGMFQVKEUHD-LLVKDONJSA-N
MW361.44 g/mol
LogP3.45
Rot. Bonds5

About 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide

2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide (PubChem CID 95099206) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
PubChem CID95099206
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
SMILESC[C@@H](NC(=O)c1csc(C(=O)NC2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2S/c1-11(12-6-8-13(19)9-7-12)20-16(23)15-10-25-18(22-15)17(24)21-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyDVUWGMFQVKEUHD-LLVKDONJSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide (CID 95099206) is 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide is C[C@@H](NC(=O)c1csc(C(=O)NC2CCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is DVUWGMFQVKEUHD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-11(12-6-8-13(19)9-7-12)20-16(23)15-10-25-18(22-15)17(24)21-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,20,23)(H,21,24)/t11-/m1/s1.
What are the key properties of 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 95099206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).