(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C16H15FN4O2S — CID 95296252

IUPAC(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C16H15FN4O2S/c1-10-6-19-13(7-18-10)16(23)21-9-24-8-14(21)15(22)20-12-4-2-11(17)3-5-12/h2-7,14H,8-9H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyOKOWMDQITDUNKL-AWEZNQCLSA-N
MW346.39 g/mol
LogP2.08
Rot. Bonds3

About (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95296252) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95296252
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C16H15FN4O2S/c1-10-6-19-13(7-18-10)16(23)21-9-24-8-14(21)15(22)20-12-4-2-11(17)3-5-12/h2-7,14H,8-9H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyOKOWMDQITDUNKL-AWEZNQCLSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-N-(4-fluorophenyl)-3-[2-(2-methoxyethoxy)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95233038
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956843
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240243
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
(4R)-N-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 99805889
N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 166218683

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95296252) is (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OKOWMDQITDUNKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-10-6-19-13(7-18-10)16(23)21-9-24-8-14(21)15(22)20-12-4-2-11(17)3-5-12/h2-7,14H,8-9H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95296252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).