N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H19N3OS — CID 105056224

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(c1)CNCC2)c1nccs1
InChIInChI=1S/C16H19N3OS/c1-16(2,15-18-7-8-21-15)19-14(20)12-4-3-11-5-6-17-10-13(11)9-12/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,19,20)
InChIKeyLLNPKTKIQDBXPY-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 105056224) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID105056224
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(c1)CNCC2)c1nccs1
InChIInChI=1S/C16H19N3OS/c1-16(2,15-18-7-8-21-15)19-14(20)12-4-3-11-5-6-17-10-13(11)9-12/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,19,20)
InChIKeyLLNPKTKIQDBXPY-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-5-ethyl-6-methyl-4-(3-thiazol-2-ylbenzoyl)-1H-pyridin-2-one
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2-[2-(4-Methyl-1,3-thiazol-2-yl)acetyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24771956
4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 46190939
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289542
N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
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N-{[1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methyl}-1-naphthamide
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CID 44535165
4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide
CID 44579234
N-[piperidin-4-yl(1,3-thiazol-2-yl)methyl]isoquinoline-6-carboxamide
CID 56675791
N,N-dimethyl-3-[4-[(1S,5R)-3-(2-thiazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
CID 60185005
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 105056224) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is CC(C)(NC(=O)c1ccc2c(c1)CNCC2)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is LLNPKTKIQDBXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,15-18-7-8-21-15)19-14(20)12-4-3-11-5-6-17-10-13(11)9-12/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 105056224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).