N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H15ClFN3OS2 — CID 119266977

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1sc(NC(=O)C2CSCN2)nc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C14H14FN3OS2.ClH/c1-8-12(9-2-4-10(15)5-3-9)17-14(21-8)18-13(19)11-6-20-7-16-11;/h2-5,11,16H,6-7H2,1H3,(H,17,18,19);1H
InChIKeyIRXUUULPCCGXCG-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.28
Rot. Bonds3

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119266977) has the molecular formula C14H15ClFN3OS2 and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119266977
Molecular FormulaC14H15ClFN3OS2
Molecular Weight359.88 g/mol
Exact Mass359.03
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1sc(NC(=O)C2CSCN2)nc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C14H14FN3OS2.ClH/c1-8-12(9-2-4-10(15)5-3-9)17-14(21-8)18-13(19)11-6-20-7-16-11;/h2-5,11,16H,6-7H2,1H3,(H,17,18,19);1H
InChIKeyIRXUUULPCCGXCG-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2970872
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
1-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119266987
(1S,2R,3R,4S)-3-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98370273
(1R,2S,3S,4S)-3-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11916163
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19210593
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119266977) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1sc(NC(=O)C2CSCN2)nc1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IRXUUULPCCGXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS2.ClH/c1-8-12(9-2-4-10(15)5-3-9)17-14(21-8)18-13(19)11-6-20-7-16-11;/h2-5,11,16H,6-7H2,1H3,(H,17,18,19);1H.
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119266977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).