2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide

C15H20N4OS2 — CID 91832233

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)CC1=CSC2=NCCCN12
InChIInChI=1S/C15H20N4OS2/c1-3-12-13(22-10(2)18-12)8-17-14(20)7-11-9-21-15-16-5-4-6-19(11)15/h9H,3-8H2,1-2H3,(H,17,20)
InChIKeyDHXHSELJTKBXMM-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.67
Rot. Bonds5

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 91832233) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID91832233
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)CC1=CSC2=NCCCN12
InChIInChI=1S/C15H20N4OS2/c1-3-12-13(22-10(2)18-12)8-17-14(20)7-11-9-21-15-16-5-4-6-19(11)15/h9H,3-8H2,1-2H3,(H,17,20)
InChIKeyDHXHSELJTKBXMM-UHFFFAOYSA-N
XLogP2.67
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

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CID 62939399
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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 91832233) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is CCc1nc(C)sc1CNC(=O)CC1=CSC2=NCCCN12.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is DHXHSELJTKBXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-3-12-13(22-10(2)18-12)8-17-14(20)7-11-9-21-15-16-5-4-6-19(11)15/h9H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 336.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91832233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).