4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide

C22H20ClFN2O2S — CID 60567460

IUPAC4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1sc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O2S/c1-14-19(15-5-7-18(24)8-6-15)25-21(29-14)26-20(27)22(9-11-28-12-10-22)16-3-2-4-17(23)13-16/h2-8,13H,9-12H2,1H3,(H,25,26,27)
InChIKeyOFRPAJAPUFUYJY-UHFFFAOYSA-N
MW430.93 g/mol
LogP5.60
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide

4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 60567460) has the molecular formula C22H20ClFN2O2S and a molecular weight of 430.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID60567460
Molecular FormulaC22H20ClFN2O2S
Molecular Weight430.93 g/mol
Exact Mass430.09
IUPAC Name4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1sc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O2S/c1-14-19(15-5-7-18(24)8-6-15)25-21(29-14)26-20(27)22(9-11-28-12-10-22)16-3-2-4-17(23)13-16/h2-8,13H,9-12H2,1H3,(H,25,26,27)
InChIKeyOFRPAJAPUFUYJY-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119266987
4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
CID 86828959
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997942
1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 58609876
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4791131
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997181
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
4-(3-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]oxane-4-carboxamide
CID 55996291
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 26291689
N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60564434

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 60567460) is 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide is Cc1sc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is OFRPAJAPUFUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2S/c1-14-19(15-5-7-18(24)8-6-15)25-21(29-14)26-20(27)22(9-11-28-12-10-22)16-3-2-4-17(23)13-16/h2-8,13H,9-12H2,1H3,(H,25,26,27).
What are the key properties of 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide?
4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 60567460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).