N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H15FN4O2S2 — CID 38031473

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)CCc2nnc(-c3ccsc3)o2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2S2/c1-11-17(12-2-4-14(20)5-3-12)22-19(28-11)21-15(25)6-7-16-23-24-18(26-16)13-8-9-27-10-13/h2-5,8-10H,6-7H2,1H3,(H,21,22,25)
InChIKeyIMQMFWGRMSXIIJ-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.94
Rot. Bonds6

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38031473) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38031473
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)CCc2nnc(-c3ccsc3)o2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2S2/c1-11-17(12-2-4-14(20)5-3-12)22-19(28-11)21-15(25)6-7-16-23-24-18(26-16)13-8-9-27-10-13/h2-5,8-10H,6-7H2,1H3,(H,21,22,25)
InChIKeyIMQMFWGRMSXIIJ-UHFFFAOYSA-N
XLogP4.94
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
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4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
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N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
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N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38041055
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38031473) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1sc(NC(=O)CCc2nnc(-c3ccsc3)o2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is IMQMFWGRMSXIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-11-17(12-2-4-14(20)5-3-12)22-19(28-11)21-15(25)6-7-16-23-24-18(26-16)13-8-9-27-10-13/h2-5,8-10H,6-7H2,1H3,(H,21,22,25).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38031473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).