[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone

C16H17FN2OS2 — CID 56815929

IUPAC[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCSCC1
InChIInChI=1S/C16H17FN2OS2/c1-11-15(16(20)19-6-8-21-9-7-19)22-14(18-11)10-12-2-4-13(17)5-3-12/h2-5H,6-10H2,1H3
InChIKeyKFFWAMWSXMEIIH-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.37
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone

[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 56815929) has the molecular formula C16H17FN2OS2 and a molecular weight of 336.46 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID56815929
Molecular FormulaC16H17FN2OS2
Molecular Weight336.46 g/mol
Exact Mass336.08
IUPAC Name[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCSCC1
InChIInChI=1S/C16H17FN2OS2/c1-11-15(16(20)19-6-8-21-9-7-19)22-14(18-11)10-12-2-4-13(17)5-3-12/h2-5H,6-10H2,1H3
InChIKeyKFFWAMWSXMEIIH-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 55651094
2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
CID 119178283
[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119644418
(3R)-1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695453
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
1-[4-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 49377676
(2R)-1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124695438
[2-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119631136
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 55808202

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone (CID 56815929) is [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCSCC1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is KFFWAMWSXMEIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS2/c1-11-15(16(20)19-6-8-21-9-7-19)22-14(18-11)10-12-2-4-13(17)5-3-12/h2-5H,6-10H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 336.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 56815929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).