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

C15H14N4O3S2 — CID 8882421

IUPAC2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2nc3ccccc3s2)no1
InChIInChI=1S/C15H14N4O3S2/c1-9-6-12(19-22-9)17-13(20)7-23-8-14(21)18-15-16-10-4-2-3-5-11(10)24-15/h2-6H,7-8H2,1H3,(H,16,18,21)(H,17,19,20)
InChIKeyKUKLPPKZZMLVMI-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.90
Rot. Bonds6

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

2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 8882421) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID8882421
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC Name2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2nc3ccccc3s2)no1
InChIInChI=1S/C15H14N4O3S2/c1-9-6-12(19-22-9)17-13(20)7-23-8-14(21)18-15-16-10-4-2-3-5-11(10)24-15/h2-6H,7-8H2,1H3,(H,16,18,21)(H,17,19,20)
InChIKeyKUKLPPKZZMLVMI-UHFFFAOYSA-N
XLogP2.90
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 8882421) is 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCC(=O)Nc2nc3ccccc3s2)no1.
What is the InChIKey of 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KUKLPPKZZMLVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-9-6-12(19-22-9)17-13(20)7-23-8-14(21)18-15-16-10-4-2-3-5-11(10)24-15/h2-6H,7-8H2,1H3,(H,16,18,21)(H,17,19,20).
What are the key properties of 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 362.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 8882421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).