6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine

C13H11N3OS — CID 71027685

IUPAC6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(N)nc(-c3nccs3)cc2c1
InChIInChI=1S/C13H11N3OS/c1-17-9-2-3-10-8(6-9)7-11(16-12(10)14)13-15-4-5-18-13/h2-7H,1H3,(H2,14,16)
InChIKeyKRAADDWCCXPODM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.95
Rot. Bonds2

About 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine

6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine (PubChem CID 71027685) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine
PubChem CID71027685
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(N)nc(-c3nccs3)cc2c1
InChIInChI=1S/C13H11N3OS/c1-17-9-2-3-10-8(6-9)7-11(16-12(10)14)13-15-4-5-18-13/h2-7H,1H3,(H2,14,16)
InChIKeyKRAADDWCCXPODM-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
1-tert-butyl-6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-4-ol
CID 135765466
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
4-methoxy-2-(1,3-thiazol-2-ylmethoxy)aniline
CID 102702487
6-methoxyphthalazin-1-amine
CID 130119690
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965
5-methoxy-2-[5-methyl-4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]phenol
CID 137182492
2-(5-methoxy-1H-indol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 171716189
2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
CID 175077266
3,6-dimethoxy-1-methylisoquinoline
CID 169285036

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine (CID 71027685) is 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine is COc1ccc2c(N)nc(-c3nccs3)cc2c1.
What is the InChIKey of 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine?
The InChIKey is KRAADDWCCXPODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-9-2-3-10-8(6-9)7-11(16-12(10)14)13-15-4-5-18-13/h2-7H,1H3,(H2,14,16).
What are the key properties of 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine?
6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1,3-thiazol-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 71027685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).