(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H15N3O2S — CID 64557137

IUPAC(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H15N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)12-6-10-4-2-3-5-11(10)7-16-12/h2-5,8,12,16H,6-7H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyQQIKZJGPPJTVNJ-GFCCVEGCSA-N
MW301.37 g/mol
LogP2.00
Rot. Bonds3

About (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 64557137) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID64557137
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C15H15N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)12-6-10-4-2-3-5-11(10)7-16-12/h2-5,8,12,16H,6-7H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyQQIKZJGPPJTVNJ-GFCCVEGCSA-N
XLogP2.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119998726
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119840454
(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896578
(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896386
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
(3S)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985001
(3R)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985000
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119290956
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119270533
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 64557137) is (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(=O)c1csc(NC(=O)[C@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QQIKZJGPPJTVNJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9(19)13-8-21-15(17-13)18-14(20)12-6-10-4-2-3-5-11(10)7-16-12/h2-5,8,12,16H,6-7H2,1H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 64557137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).