2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

C16H18Cl2FN3OS — CID 120884051

IUPAC2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2c(c1F)CCNC2)c1csc(C2CC2)n1
InChIInChI=1S/C16H16FN3OS.2ClH/c17-14-11-5-6-18-7-10(11)3-4-12(14)19-15(21)13-8-22-16(20-13)9-1-2-9;;/h3-4,8-9,18H,1-2,5-7H2,(H,19,21);2*1H
InChIKeyWIRLGWLPYGTTKN-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.90
Rot. Bonds3

About 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120884051) has the molecular formula C16H18Cl2FN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120884051
Molecular FormulaC16H18Cl2FN3OS
Molecular Weight390.31 g/mol
Exact Mass389.05
IUPAC Name2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2c(c1F)CCNC2)c1csc(C2CC2)n1
InChIInChI=1S/C16H16FN3OS.2ClH/c17-14-11-5-6-18-7-10(11)3-4-12(14)19-15(21)13-8-22-16(20-13)9-1-2-9;;/h3-4,8-9,18H,1-2,5-7H2,(H,19,21);2*1H
InChIKeyWIRLGWLPYGTTKN-UHFFFAOYSA-N
XLogP3.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide
CID 120881700
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120883747
1-tert-butyl-5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-3-carboxamide
CID 120882272
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881608
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
CID 120883197
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120883212
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
4-cyclobutyloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882637
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
(4R)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120882971
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
CID 120883246

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120884051) is 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2c(c1F)CCNC2)c1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WIRLGWLPYGTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS.2ClH/c17-14-11-5-6-18-7-10(11)3-4-12(14)19-15(21)13-8-22-16(20-13)9-1-2-9;;/h3-4,8-9,18H,1-2,5-7H2,(H,19,21);2*1H.
What are the key properties of 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 390.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120884051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).