2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C19H27N5OS — CID 56716304

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(C)c1cc(C2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)[nH]n1
InChIInChI=1S/C19H27N5OS/c1-13(2)16-11-17(22-21-16)14-4-8-23(9-5-14)18(25)10-15-12-26-19-20-6-3-7-24(15)19/h11-14H,3-10H2,1-2H3,(H,21,22)
InChIKeyDZIWJQKHGRRRRV-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.28
Rot. Bonds4

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 56716304) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID56716304
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(C)c1cc(C2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)[nH]n1
InChIInChI=1S/C19H27N5OS/c1-13(2)16-11-17(22-21-16)14-4-8-23(9-5-14)18(25)10-15-12-26-19-20-6-3-7-24(15)19/h11-14H,3-10H2,1-2H3,(H,21,22)
InChIKeyDZIWJQKHGRRRRV-UHFFFAOYSA-N
XLogP3.28
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone with MolForge

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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)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 56716304) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is CC(C)c1cc(C2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)[nH]n1.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is DZIWJQKHGRRRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-13(2)16-11-17(22-21-16)14-4-8-23(9-5-14)18(25)10-15-12-26-19-20-6-3-7-24(15)19/h11-14H,3-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 373.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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)-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56716304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).