2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide

C22H24F2N4O2S — CID 171420399

IUPAC2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide
SMILESCCCN1CCN(c2cc(F)c(C(=O)Nc3nc4c(OC)cccc4s3)c(F)c2)CC1
InChIInChI=1S/C22H24F2N4O2S/c1-3-7-27-8-10-28(11-9-27)14-12-15(23)19(16(24)13-14)21(29)26-22-25-20-17(30-2)5-4-6-18(20)31-22/h4-6,12-13H,3,7-11H2,1-2H3,(H,25,26,29)
InChIKeyLMFSMPWJQSCXSP-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.37
Rot. Bonds6

About 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide

2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide (PubChem CID 171420399) has the molecular formula C22H24F2N4O2S and a molecular weight of 446.52 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide
PubChem CID171420399
Molecular FormulaC22H24F2N4O2S
Molecular Weight446.52 g/mol
Exact Mass446.16
IUPAC Name2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide
SMILESCCCN1CCN(c2cc(F)c(C(=O)Nc3nc4c(OC)cccc4s3)c(F)c2)CC1
InChIInChI=1S/C22H24F2N4O2S/c1-3-7-27-8-10-28(11-9-27)14-12-15(23)19(16(24)13-14)21(29)26-22-25-20-17(30-2)5-4-6-18(20)31-22/h4-6,12-13H,3,7-11H2,1-2H3,(H,25,26,29)
InChIKeyLMFSMPWJQSCXSP-UHFFFAOYSA-N
XLogP4.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide (CID 171420399) is 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide is CCCN1CCN(c2cc(F)c(C(=O)Nc3nc4c(OC)cccc4s3)c(F)c2)CC1.
What is the InChIKey of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide?
The InChIKey is LMFSMPWJQSCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2S/c1-3-7-27-8-10-28(11-9-27)14-12-15(23)19(16(24)13-14)21(29)26-22-25-20-17(30-2)5-4-6-18(20)31-22/h4-6,12-13H,3,7-11H2,1-2H3,(H,25,26,29).
What are the key properties of 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide?
2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide has a molecular weight of 446.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(4-propylpiperazin-1-yl)benzamide is sourced from PubChem (CID 171420399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).