2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole

C14H18N4OS — CID 136841271

IUPAC2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole
SMILESc1csc(C2CCNc3cc(C4CCOCC4)nn32)n1
InChIInChI=1S/C14H18N4OS/c1-4-15-13-9-11(10-2-6-19-7-3-10)17-18(13)12(1)14-16-5-8-20-14/h5,8-10,12,15H,1-4,6-7H2
InChIKeySWMVUAUSTJFIMQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.64
Rot. Bonds2

About 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole

2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole (PubChem CID 136841271) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole
PubChem CID136841271
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole
SMILESc1csc(C2CCNc3cc(C4CCOCC4)nn32)n1
InChIInChI=1S/C14H18N4OS/c1-4-15-13-9-11(10-2-6-19-7-3-10)17-18(13)12(1)14-16-5-8-20-14/h5,8-10,12,15H,1-4,6-7H2
InChIKeySWMVUAUSTJFIMQ-UHFFFAOYSA-N
XLogP2.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole (CID 136841271) is 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole is c1csc(C2CCNc3cc(C4CCOCC4)nn32)n1.
What is the InChIKey of 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole?
The InChIKey is SWMVUAUSTJFIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-15-13-9-11(10-2-6-19-7-3-10)17-18(13)12(1)14-16-5-8-20-14/h5,8-10,12,15H,1-4,6-7H2.
What are the key properties of 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole?
2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole has a molecular weight of 290.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazole is sourced from PubChem (CID 136841271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).