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

C15H14FN3O2S2 — CID 67262611

IUPAC3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCSC2C(N)=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN3O2S2/c1-8-18-11(12(23-8)9-2-4-10(16)5-3-9)14(21)19-6-7-22-15(19)13(17)20/h2-5,15H,6-7H2,1H3,(H2,17,20)
InChIKeyYUMRHSOKNLVWHS-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.26
Rot. Bonds3

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

3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 67262611) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
PubChem CID67262611
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC Name3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCSC2C(N)=O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN3O2S2/c1-8-18-11(12(23-8)9-2-4-10(16)5-3-9)14(21)19-6-7-22-15(19)13(17)20/h2-5,15H,6-7H2,1H3,(H2,17,20)
InChIKeyYUMRHSOKNLVWHS-UHFFFAOYSA-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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Related Compounds

3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
CID 67479356
3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
CID 67479307
[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67262628
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-(2,3,3-trimethylpiperidin-1-yl)methanone
CID 145079141
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
[2-(aminomethyl)azetidin-1-yl]-[5-(4-ethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67018323
2-(4-fluorophenoxy)-1-[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 154872856
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158479
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
2-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
CID 129025703
[(2S)-2-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67157956

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide (CID 67262611) is 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide is Cc1nc(C(=O)N2CCSC2C(N)=O)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is YUMRHSOKNLVWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-8-18-11(12(23-8)9-2-4-10(16)5-3-9)14(21)19-6-7-22-15(19)13(17)20/h2-5,15H,6-7H2,1H3,(H2,17,20).
What are the key properties of 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-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 3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 67262611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).