N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine

C19H19FN4S — CID 166702228

IUPACN-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
SMILESC=C(CN1CC[C@@H](F)C1)Nc1cc2cc(-c3cncs3)ccc2cn1
InChIInChI=1S/C19H19FN4S/c1-13(10-24-5-4-17(20)11-24)23-19-7-16-6-14(18-9-21-12-25-18)2-3-15(16)8-22-19/h2-3,6-9,12,17H,1,4-5,10-11H2,(H,22,23)/t17-/m1/s1
InChIKeyQSCZBZXYKNINIR-QGZVFWFLSA-N
MW354.45 g/mol
LogP4.33
Rot. Bonds5

About N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine

N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine (PubChem CID 166702228) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
PubChem CID166702228
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC NameN-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
SMILESC=C(CN1CC[C@@H](F)C1)Nc1cc2cc(-c3cncs3)ccc2cn1
InChIInChI=1S/C19H19FN4S/c1-13(10-24-5-4-17(20)11-24)23-19-7-16-6-14(18-9-21-12-25-18)2-3-15(16)8-22-19/h2-3,6-9,12,17H,1,4-5,10-11H2,(H,22,23)/t17-/m1/s1
InChIKeyQSCZBZXYKNINIR-QGZVFWFLSA-N
XLogP4.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Foropafant
CID 119368
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
(S)-N1-(5-(3-aminoisoquinolin-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654594
(S)-N1-(5-(isoquinolin-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654922
N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 51002833
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-3-ylphenyl)-1,3-thiazol-2-amine
CID 71615268
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074
4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423193
N,N-dimethyl-5-(4-{2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl}phenyl)pyridin-2-amine
CID 89423213
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-4-ylphenyl)-1,3-thiazol-2-amine
CID 89427046
N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89427070

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
The IUPAC name of N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine (CID 166702228) is N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
The canonical SMILES for N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine is C=C(CN1CC[C@@H](F)C1)Nc1cc2cc(-c3cncs3)ccc2cn1.
What is the InChIKey of N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
The InChIKey is QSCZBZXYKNINIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN4S/c1-13(10-24-5-4-17(20)11-24)23-19-7-16-6-14(18-9-21-12-25-18)2-3-15(16)8-22-19/h2-3,6-9,12,17H,1,4-5,10-11H2,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine has a molecular weight of 354.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine is sourced from PubChem (CID 166702228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).