2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H13FN4O3S2 — CID 35999276

IUPAC2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2nc3ccc(F)cc3s2)no1
InChIInChI=1S/C15H13FN4O3S2/c1-8-4-12(20-23-8)18-13(21)6-24-7-14(22)19-15-17-10-3-2-9(16)5-11(10)25-15/h2-5H,6-7H2,1H3,(H,17,19,22)(H,18,20,21)
InChIKeyAUJVXAKGUKGOIO-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 35999276) has the molecular formula C15H13FN4O3S2 and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID35999276
Molecular FormulaC15H13FN4O3S2
Molecular Weight380.43 g/mol
Exact Mass380.04
IUPAC Name2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2nc3ccc(F)cc3s2)no1
InChIInChI=1S/C15H13FN4O3S2/c1-8-4-12(20-23-8)18-13(21)6-24-7-14(22)19-15-17-10-3-2-9(16)5-11(10)25-15/h2-5H,6-7H2,1H3,(H,17,19,22)(H,18,20,21)
InChIKeyAUJVXAKGUKGOIO-UHFFFAOYSA-N
XLogP3.04
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 35999276) is 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCC(=O)Nc2nc3ccc(F)cc3s2)no1.
What is the InChIKey of 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is AUJVXAKGUKGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S2/c1-8-4-12(20-23-8)18-13(21)6-24-7-14(22)19-15-17-10-3-2-9(16)5-11(10)25-15/h2-5H,6-7H2,1H3,(H,17,19,22)(H,18,20,21).
What are the key properties of 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 380.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 35999276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).