1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine

C27H31N7S — CID 145392375

IUPAC1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine
SMILESC=Cc1ccnc(N2CCN(C3CC3)CC2)c1.CNc1cc2cc(-c3cnc(N)s3)ccc2cn1
InChIInChI=1S/C14H19N3.C13H12N4S/c1-2-12-5-6-15-14(11-12)17-9-7-16(8-10-17)13-3-4-13;1-15-12-5-10-4-8(2-3-9(10)6-16-12)11-7-17-13(14)18-11/h2,5-6,11,13H,1,3-4,7-10H2;2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyGPFPVWDWXVZAGR-UHFFFAOYSA-N
MW485.66 g/mol
LogP4.99
Rot. Bonds5

About 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine

1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine (PubChem CID 145392375) has the molecular formula C27H31N7S and a molecular weight of 485.66 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine
PubChem CID145392375
Molecular FormulaC27H31N7S
Molecular Weight485.66 g/mol
Exact Mass485.24
IUPAC Name1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine
SMILESC=Cc1ccnc(N2CCN(C3CC3)CC2)c1.CNc1cc2cc(-c3cnc(N)s3)ccc2cn1
InChIInChI=1S/C14H19N3.C13H12N4S/c1-2-12-5-6-15-14(11-12)17-9-7-16(8-10-17)13-3-4-13;1-15-12-5-10-4-8(2-3-9(10)6-16-12)11-7-17-13(14)18-11/h2,5-6,11,13H,1,3-4,7-10H2;2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyGPFPVWDWXVZAGR-UHFFFAOYSA-N
XLogP4.99
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 145392446
1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 145392535
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 158242384
6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine
CID 142575352
1-(4-ethenyl-2-pyridinyl)azetidin-3-amine;N-methyl-6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 145392558
N-methyl-5-[3-[1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethenylamino]isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 166787436
N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;1-methyl-4-(4-prop-2-enyl-2-pyridinyl)piperazine
CID 145392531
5-[3-[1-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethenylamino]isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 166786936
N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589244
6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
CID 145392399
2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 147886278
1-[3-[1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethenylamino]isoquinolin-6-yl]ethenyl N-methylethanimidothioate
CID 145392125

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine (CID 145392375) is 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine is C=Cc1ccnc(N2CCN(C3CC3)CC2)c1.CNc1cc2cc(-c3cnc(N)s3)ccc2cn1.
What is the InChIKey of 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine?
The InChIKey is GPFPVWDWXVZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C13H12N4S/c1-2-12-5-6-15-14(11-12)17-9-7-16(8-10-17)13-3-4-13;1-15-12-5-10-4-8(2-3-9(10)6-16-12)11-7-17-13(14)18-11/h2,5-6,11,13H,1,3-4,7-10H2;2-7H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine?
1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine has a molecular weight of 485.66 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 145392375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).