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

C17H23N3S — CID 90778652

IUPAC4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole
SMILESCc1nn2c(c1-c1nc(C3CCCCC3)cs1)CCCC2
InChIInChI=1S/C17H23N3S/c1-12-16(15-9-5-6-10-20(15)19-12)17-18-14(11-21-17)13-7-3-2-4-8-13/h11,13H,2-10H2,1H3
InChIKeySGRPQNQCZIOMPB-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.70
Rot. Bonds2

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

4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole (PubChem CID 90778652) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole
PubChem CID90778652
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole
SMILESCc1nn2c(c1-c1nc(C3CCCCC3)cs1)CCCC2
InChIInChI=1S/C17H23N3S/c1-12-16(15-9-5-6-10-20(15)19-12)17-18-14(11-21-17)13-7-3-2-4-8-13/h11,13H,2-10H2,1H3
InChIKeySGRPQNQCZIOMPB-UHFFFAOYSA-N
XLogP4.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124311
2-Cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 91643237
4-((2-cyclopropyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)methyl)-2-methylthiazole
CID 119103626
2-(2-Propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
CID 70967687
2-(2-Ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
CID 71081539
4-[1-(1-Methyl-3-propan-2-ylpyrazol-5-yl)propan-2-yl]-1,3-thiazole
CID 129066020
2-Methyl-4,5-di(propan-2-yl)-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1,3,4-trimethyl-5-propan-2-ylpyrazole
CID 159282230
2-Tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 160205377
2-(2-Propyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
CID 163659407
Ethane;5-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 169194308
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ethanamine
CID 46986933
1-[3,5-Dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
CID 65855558

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole (CID 90778652) is 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole is Cc1nn2c(c1-c1nc(C3CCCCC3)cs1)CCCC2.
What is the InChIKey of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole?
The InChIKey is SGRPQNQCZIOMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12-16(15-9-5-6-10-20(15)19-12)17-18-14(11-21-17)13-7-3-2-4-8-13/h11,13H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole?
4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 90778652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).