N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H17FN4O2S — CID 112807472

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C24H17FN4O2S/c25-17-6-2-1-5-16(17)19-14-27-23(31-19)12-11-22(30)29-21-10-9-15(13-26-21)24-28-18-7-3-4-8-20(18)32-24/h1-10,13-14H,11-12H2,(H,26,29,30)
InChIKeyNEAMQTHRMMGKOQ-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.72
Rot. Bonds6

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 112807472) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID112807472
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C24H17FN4O2S/c25-17-6-2-1-5-16(17)19-14-27-23(31-19)12-11-22(30)29-21-10-9-15(13-26-21)24-28-18-7-3-4-8-20(18)32-24/h1-10,13-14H,11-12H2,(H,26,29,30)
InChIKeyNEAMQTHRMMGKOQ-UHFFFAOYSA-N
XLogP5.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 72205264
Thieno[2,3-c]pyridine-2-carboxamide,7-amino-4-[4-(2-benzoxazolylamino)phenyl]-
CID 11560418
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 84973059
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 72204712
2-[[2-(1,3-Benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16293657
5-(4-fluorophenyl)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)oxazole-2-carboxamide
CID 16950336
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41767585
US11248001, Example 102
CID 154653541
2-(1,3-Benzothiazol-2-yl)-5-phenyl-1,3-oxazole
CID 102452120
3-(1,3-benzoxazol-2-yl)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 8106880
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 16672490

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 112807472) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3s2)cn1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is NEAMQTHRMMGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c25-17-6-2-1-5-16(17)19-14-27-23(31-19)12-11-22(30)29-21-10-9-15(13-26-21)24-28-18-7-3-4-8-20(18)32-24/h1-10,13-14H,11-12H2,(H,26,29,30).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 444.49 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 112807472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).