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

C16H22N4OS2 — CID 91774628

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1nc(CCCNC(=O)CC2=CSC3=NCCCN23)sc1C
InChIInChI=1S/C16H22N4OS2/c1-11-12(2)23-15(19-11)5-3-6-17-14(21)9-13-10-22-16-18-7-4-8-20(13)16/h10H,3-9H2,1-2H3,(H,17,21)
InChIKeyFYGPRLBNKGQSCG-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.85
Rot. Bonds6

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

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 91774628) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID91774628
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1nc(CCCNC(=O)CC2=CSC3=NCCCN23)sc1C
InChIInChI=1S/C16H22N4OS2/c1-11-12(2)23-15(19-11)5-3-6-17-14(21)9-13-10-22-16-18-7-4-8-20(13)16/h10H,3-9H2,1-2H3,(H,17,21)
InChIKeyFYGPRLBNKGQSCG-UHFFFAOYSA-N
XLogP2.85
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide (CID 91774628) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide is Cc1nc(CCCNC(=O)CC2=CSC3=NCCCN23)sc1C.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is FYGPRLBNKGQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-11-12(2)23-15(19-11)5-3-6-17-14(21)9-13-10-22-16-18-7-4-8-20(13)16/h10H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 2.85, 6 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-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91774628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).