[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol

C13H14N2OS — CID 114803051

IUPAC[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)CCNC3)cs1
InChIInChI=1S/C13H14N2OS/c16-7-13-15-12(8-17-13)10-1-2-11-6-14-4-3-9(11)5-10/h1-2,5,8,14,16H,3-4,6-7H2
InChIKeyQJTNRQIIIXKGEY-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.95
Rot. Bonds2

About [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol

[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 114803051) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
PubChem CID114803051
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)CCNC3)cs1
InChIInChI=1S/C13H14N2OS/c16-7-13-15-12(8-17-13)10-1-2-11-6-14-4-3-9(11)5-10/h1-2,5,8,14,16H,3-4,6-7H2
InChIKeyQJTNRQIIIXKGEY-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 114802987
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole
CID 114803064
2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803011
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803070
2-(oxan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803063
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
CID 166525760

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol (CID 114803051) is [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccc3c(c2)CCNC3)cs1.
What is the InChIKey of [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is QJTNRQIIIXKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-7-13-15-12(8-17-13)10-1-2-11-6-14-4-3-9(11)5-10/h1-2,5,8,14,16H,3-4,6-7H2.
What are the key properties of [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol?
[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 246.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 114803051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).