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

C16H16N4S — CID 136839945

IUPAC2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
SMILESCc1c(-c2ccccc2)nn2c1NCCC2c1nccs1
InChIInChI=1S/C16H16N4S/c1-11-14(12-5-3-2-4-6-12)19-20-13(7-8-17-15(11)20)16-18-9-10-21-16/h2-6,9-10,13,17H,7-8H2,1H3
InChIKeyKVRCVSHNAKXLSK-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.72
Rot. Bonds2

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

2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole (PubChem CID 136839945) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
PubChem CID136839945
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
SMILESCc1c(-c2ccccc2)nn2c1NCCC2c1nccs1
InChIInChI=1S/C16H16N4S/c1-11-14(12-5-3-2-4-6-12)19-20-13(7-8-17-15(11)20)16-18-9-10-21-16/h2-6,9-10,13,17H,7-8H2,1H3
InChIKeyKVRCVSHNAKXLSK-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole (CID 136839945) is 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole is Cc1c(-c2ccccc2)nn2c1NCCC2c1nccs1.
What is the InChIKey of 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
The InChIKey is KVRCVSHNAKXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-11-14(12-5-3-2-4-6-12)19-20-13(7-8-17-15(11)20)16-18-9-10-21-16/h2-6,9-10,13,17H,7-8H2,1H3.
What are the key properties of 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole?
2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole has a molecular weight of 296.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole is sourced from PubChem (CID 136839945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).