N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine

C14H13N3S — CID 54868726

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
SMILESCc1ncc(CNc2cccc3cnccc23)s1
InChIInChI=1S/C14H13N3S/c1-10-16-8-12(18-10)9-17-14-4-2-3-11-7-15-6-5-13(11)14/h2-8,17H,9H2,1H3
InChIKeyKVGHFYYQJHYXMO-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine (PubChem CID 54868726) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
PubChem CID54868726
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
SMILESCc1ncc(CNc2cccc3cnccc23)s1
InChIInChI=1S/C14H13N3S/c1-10-16-8-12(18-10)9-17-14-4-2-3-11-7-15-6-5-13(11)14/h2-8,17H,9H2,1H3
InChIKeyKVGHFYYQJHYXMO-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
CID 54868733
N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
CID 79419365
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
CID 66386138
2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 62500593
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
CID 168582921

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine (CID 54868726) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine is Cc1ncc(CNc2cccc3cnccc23)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine?
The InChIKey is KVGHFYYQJHYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-16-8-12(18-10)9-17-14-4-2-3-11-7-15-6-5-13(11)14/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 54868726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).