N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine

C16H21N3S — CID 114802987

IUPACN,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCN(C)CCc1nc(-c2ccc3c(c2)CCNC3)cs1
InChIInChI=1S/C16H21N3S/c1-19(2)8-6-16-18-15(11-20-16)13-3-4-14-10-17-7-5-12(14)9-13/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyPBVYHOBZGMCOQG-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.56
Rot. Bonds4

About N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine

N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 114802987) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID114802987
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCN(C)CCc1nc(-c2ccc3c(c2)CCNC3)cs1
InChIInChI=1S/C16H21N3S/c1-19(2)8-6-16-18-15(11-20-16)13-3-4-14-10-17-7-5-12(14)9-13/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyPBVYHOBZGMCOQG-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine with MolForge

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Related Compounds

[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
CID 114803051
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2H-triazol-4-yl)-1,3-thiazole
CID 114803064
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 115347390
2-cyclopentyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803011
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
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
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433
4-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]benzonitrile
CID 63152237
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
CID 166525760

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine (CID 114802987) is N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine is CN(C)CCc1nc(-c2ccc3c(c2)CCNC3)cs1.
What is the InChIKey of N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is PBVYHOBZGMCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-19(2)8-6-16-18-15(11-20-16)13-3-4-14-10-17-7-5-12(14)9-13/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine?
N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 114802987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).