N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C15H15N5O2S — CID 91832559

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1=CSC2=NCCCN12)NCc1ccc2nonc2c1
InChIInChI=1S/C15H15N5O2S/c21-14(7-11-9-23-15-16-4-1-5-20(11)15)17-8-10-2-3-12-13(6-10)19-22-18-12/h2-3,6,9H,1,4-5,7-8H2,(H,17,21)
InChIKeyPBIFXFXNTOVDOT-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.88
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 91832559) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID91832559
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1=CSC2=NCCCN12)NCc1ccc2nonc2c1
InChIInChI=1S/C15H15N5O2S/c21-14(7-11-9-23-15-16-4-1-5-20(11)15)17-8-10-2-3-12-13(6-10)19-22-18-12/h2-3,6,9H,1,4-5,7-8H2,(H,17,21)
InChIKeyPBIFXFXNTOVDOT-UHFFFAOYSA-N
XLogP1.88
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787518
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide
CID 91785917
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 56705409
N-(2-acetamidoethyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800580
N-[4-[2-(2,1,3-benzoxadiazol-5-ylmethylamino)-2-oxoethyl]phenyl]butanamide
CID 46990871
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 91762133
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 108787696
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108800493
N-(4-chloro-2-pyridinyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787582
methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108800479
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166985037
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 108787628

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 91832559) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is O=C(CC1=CSC2=NCCCN12)NCc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is PBIFXFXNTOVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-14(7-11-9-23-15-16-4-1-5-20(11)15)17-8-10-2-3-12-13(6-10)19-22-18-12/h2-3,6,9H,1,4-5,7-8H2,(H,17,21).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 91832559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).