N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine

C20H21FN4S — CID 166954731

IUPACN-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
SMILESC=C(CN1CCC(F)CC1)Nc1cc2cc(-c3cncs3)ccc2cn1
InChIInChI=1S/C20H21FN4S/c1-14(12-25-6-4-18(21)5-7-25)24-20-9-17-8-15(19-11-22-13-26-19)2-3-16(17)10-23-20/h2-3,8-11,13,18H,1,4-7,12H2,(H,23,24)
InChIKeyDISIAMMGAYVYAO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.72
Rot. Bonds5

About N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine

N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine (PubChem CID 166954731) has the molecular formula C20H21FN4S and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
PubChem CID166954731
Molecular FormulaC20H21FN4S
Molecular Weight368.48 g/mol
Exact Mass368.15
IUPAC NameN-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
SMILESC=C(CN1CCC(F)CC1)Nc1cc2cc(-c3cncs3)ccc2cn1
InChIInChI=1S/C20H21FN4S/c1-14(12-25-6-4-18(21)5-7-25)24-20-9-17-8-15(19-11-22-13-26-19)2-3-16(17)10-23-20/h2-3,8-11,13,18H,1,4-7,12H2,(H,23,24)
InChIKeyDISIAMMGAYVYAO-UHFFFAOYSA-N
XLogP4.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-fluoropyrrolidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166954576
N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166702228
N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166702482
N-[1-(1-propan-2-ylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166955081
6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
CID 166954769
N-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166954454
6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
CID 142562934
2-morpholin-4-yl-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]acetamide
CID 138590422
N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
CID 166955080
4-methyl-4-(4-methylpiperazin-1-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]cyclohexa-1,5-diene-1-carboxamide
CID 145392537
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide
CID 166783949
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
The IUPAC name of N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine (CID 166954731) is N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
The canonical SMILES for N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine is C=C(CN1CCC(F)CC1)Nc1cc2cc(-c3cncs3)ccc2cn1.
What is the InChIKey of N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
The InChIKey is DISIAMMGAYVYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4S/c1-14(12-25-6-4-18(21)5-7-25)24-20-9-17-8-15(19-11-22-13-26-19)2-3-16(17)10-23-20/h2-3,8-11,13,18H,1,4-7,12H2,(H,23,24).
What are the key properties of N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine?
N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine has a molecular weight of 368.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine is sourced from PubChem (CID 166954731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).