N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C15H13F2N3O2S2 — CID 17421640

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H13F2N3O2S2/c1-8-7-23-15(22)20(8)4-2-3-12(21)18-14-19-13-10(17)5-9(16)6-11(13)24-14/h5-7H,2-4H2,1H3,(H,18,19,21)
InChIKeyBLEHXDCCXNWMEM-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.53
Rot. Bonds5

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 17421640) has the molecular formula C15H13F2N3O2S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID17421640
Molecular FormulaC15H13F2N3O2S2
Molecular Weight369.42 g/mol
Exact Mass369.04
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H13F2N3O2S2/c1-8-7-23-15(22)20(8)4-2-3-12(21)18-14-19-13-10(17)5-9(16)6-11(13)24-14/h5-7H,2-4H2,1H3,(H,18,19,21)
InChIKeyBLEHXDCCXNWMEM-UHFFFAOYSA-N
XLogP3.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 17421640) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)Nc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is BLEHXDCCXNWMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S2/c1-8-7-23-15(22)20(8)4-2-3-12(21)18-14-19-13-10(17)5-9(16)6-11(13)24-14/h5-7H,2-4H2,1H3,(H,18,19,21).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 369.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 17421640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).