(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone

C14H14FN3OS2 — CID 174618396

IUPAC(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESCC1(N)SCCN1C(=O)c1ncsc1-c1cccc(F)c1
InChIInChI=1S/C14H14FN3OS2/c1-14(16)18(5-6-21-14)13(19)11-12(20-8-17-11)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6,16H2,1H3
InChIKeyQVYIYWRDNSRJSX-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.77
Rot. Bonds2

About (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone

(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 174618396) has the molecular formula C14H14FN3OS2 and a molecular weight of 323.42 g/mol. Its IUPAC name is (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID174618396
Molecular FormulaC14H14FN3OS2
Molecular Weight323.42 g/mol
Exact Mass323.06
IUPAC Name(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESCC1(N)SCCN1C(=O)c1ncsc1-c1cccc(F)c1
InChIInChI=1S/C14H14FN3OS2/c1-14(16)18(5-6-21-14)13(19)11-12(20-8-17-11)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6,16H2,1H3
InChIKeyQVYIYWRDNSRJSX-UHFFFAOYSA-N
XLogP2.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 123747540
3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
CID 67479307
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]carbamate
CID 59291288
4-(3-fluorobenzoyl)-N,N-dimethyl-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4032810
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68632496
N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 19768642
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 120805349
ethyl 2-[[4-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 3879520
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2R)-1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]acetate
CID 69112413
ethyl 1-[2-[2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylamino]quinazolin-4-yl]piperidine-3-carboxylate
CID 4985228
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120815553

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 174618396) is (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone is CC1(N)SCCN1C(=O)c1ncsc1-c1cccc(F)c1.
What is the InChIKey of (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is QVYIYWRDNSRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS2/c1-14(16)18(5-6-21-14)13(19)11-12(20-8-17-11)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6,16H2,1H3.
What are the key properties of (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone?
(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 323.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 174618396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).