2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole

C17H20N2S — CID 114803011

IUPAC2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(C3CCCC3)n1)CCNC2
InChIInChI=1S/C17H20N2S/c1-2-4-12(3-1)17-19-16(11-20-17)14-5-6-15-10-18-8-7-13(15)9-14/h5-6,9,11-12,18H,1-4,7-8,10H2
InChIKeyADPXVQXLVPKAEI-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.11
Rot. Bonds2

About 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole

2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole (PubChem CID 114803011) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
PubChem CID114803011
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(C3CCCC3)n1)CCNC2
InChIInChI=1S/C17H20N2S/c1-2-4-12(3-1)17-19-16(11-20-17)14-5-6-15-10-18-8-7-13(15)9-14/h5-6,9,11-12,18H,1-4,7-8,10H2
InChIKeyADPXVQXLVPKAEI-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803063
2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803070
4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole
CID 67324926
[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
CID 114803051
4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 67322897
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole
CID 114803064
N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 114802987
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433
(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol
CID 58246469
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 119035720

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole (CID 114803011) is 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole is c1cc2c(cc1-c1csc(C3CCCC3)n1)CCNC2.
What is the InChIKey of 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
The InChIKey is ADPXVQXLVPKAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-4-12(3-1)17-19-16(11-20-17)14-5-6-15-10-18-8-7-13(15)9-14/h5-6,9,11-12,18H,1-4,7-8,10H2.
What are the key properties of 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole?
2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole has a molecular weight of 284.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole is sourced from PubChem (CID 114803011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).