2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide

C14H15F2N3O2S — CID 120790634

IUPAC2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1nc2cc(F)c(F)cc2s1)C1CCOCC1
InChIInChI=1S/C14H15F2N3O2S/c15-8-5-10-11(6-9(8)16)22-14(18-10)19-13(20)12(17)7-1-3-21-4-2-7/h5-7,12H,1-4,17H2,(H,18,19,20)
InChIKeyKHYDDZOSWXWPTH-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide

2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide (PubChem CID 120790634) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
PubChem CID120790634
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1nc2cc(F)c(F)cc2s1)C1CCOCC1
InChIInChI=1S/C14H15F2N3O2S/c15-8-5-10-11(6-9(8)16)22-14(18-10)19-13(20)12(17)7-1-3-21-4-2-7/h5-7,12H,1-4,17H2,(H,18,19,20)
InChIKeyKHYDDZOSWXWPTH-UHFFFAOYSA-N
XLogP2.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119758517
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
CID 120795509
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120786534
2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783341
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide (CID 120790634) is 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1nc2cc(F)c(F)cc2s1)C1CCOCC1.
What is the InChIKey of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is KHYDDZOSWXWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c15-8-5-10-11(6-9(8)16)22-14(18-10)19-13(20)12(17)7-1-3-21-4-2-7/h5-7,12H,1-4,17H2,(H,18,19,20).
What are the key properties of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).