(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

C15H14FN3O2S2 — CID 25074030

IUPAC(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2C(N)=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN3O2S2/c1-8-18-12(13(23-8)9-2-4-10(16)5-3-9)15(21)19-7-22-6-11(19)14(17)20/h2-5,11H,6-7H2,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyXPDGIMSPWPWVOH-NSHDSACASA-N
MW351.43 g/mol
LogP2.26
Rot. Bonds3

About (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 25074030) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID25074030
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC Name(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2C(N)=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN3O2S2/c1-8-18-12(13(23-8)9-2-4-10(16)5-3-9)15(21)19-7-22-6-11(19)14(17)20/h2-5,11H,6-7H2,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyXPDGIMSPWPWVOH-NSHDSACASA-N
XLogP2.26
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 25074030) is (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(C(=O)N2CSC[C@H]2C(N)=O)c(-c2ccc(F)cc2)s1.
What is the InChIKey of (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XPDGIMSPWPWVOH-NSHDSACASA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-8-18-12(13(23-8)9-2-4-10(16)5-3-9)15(21)19-7-22-6-11(19)14(17)20/h2-5,11H,6-7H2,1H3,(H2,17,20)/t11-/m0/s1.
What are the key properties of (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 25074030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).