N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

C14H9ClFN3O3S2 — CID 54737161

IUPACN-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFN3O3S2/c15-7-3-6(1-2-8(7)16)17-11(22)5-23-14-19-13-12(24-14)9(20)4-10(21)18-13/h1-4H,5H2,(H,17,22)(H2,18,20,21)
InChIKeyNFLVRTGHYBVVLJ-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.21
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 54737161) has the molecular formula C14H9ClFN3O3S2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID54737161
Molecular FormulaC14H9ClFN3O3S2
Molecular Weight385.83 g/mol
Exact Mass384.98
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFN3O3S2/c15-7-3-6(1-2-8(7)16)17-11(22)5-23-14-19-13-12(24-14)9(20)4-10(21)18-13/h1-4H,5H2,(H,17,22)(H2,18,20,21)
InChIKeyNFLVRTGHYBVVLJ-UHFFFAOYSA-N
XLogP3.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 54691572
N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 54693364
2-[[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 46268732
2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 54691545
methyl 3-[[2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoate
CID 54691568
N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1462681
N-(3-chloro-4-fluorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 1379221
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40738378
N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1462674
2-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54728841
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
N-(3-chloro-4-fluorophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 32507718

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 54737161) is N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is NFLVRTGHYBVVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O3S2/c15-7-3-6(1-2-8(7)16)17-11(22)5-23-14-19-13-12(24-14)9(20)4-10(21)18-13/h1-4H,5H2,(H,17,22)(H2,18,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 385.83 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 54737161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).