N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine

C14H12ClN3S — CID 168582921

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
SMILESCc1cncc2cccc(NCc3cnc(Cl)s3)c12
InChIInChI=1S/C14H12ClN3S/c1-9-5-16-6-10-3-2-4-12(13(9)10)17-7-11-8-18-14(15)19-11/h2-6,8,17H,7H2,1H3
InChIKeyBSZCUPFPFJEINW-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.27
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine (PubChem CID 168582921) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
PubChem CID168582921
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
SMILESCc1cncc2cccc(NCc3cnc(Cl)s3)c12
InChIInChI=1S/C14H12ClN3S/c1-9-5-16-6-10-3-2-4-12(13(9)10)17-7-11-8-18-14(15)19-11/h2-6,8,17H,7H2,1H3
InChIKeyBSZCUPFPFJEINW-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine
CID 168580069
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
CID 168580256
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-nitroaniline
CID 168582038
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 168583670
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline
CID 168583427
2-tert-butyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-methylaniline
CID 168583607
1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-propan-2-ylsulfanylaniline
CID 168584225

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine (CID 168582921) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine is Cc1cncc2cccc(NCc3cnc(Cl)s3)c12.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine?
The InChIKey is BSZCUPFPFJEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-5-16-6-10-3-2-4-12(13(9)10)17-7-11-8-18-14(15)19-11/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine has a molecular weight of 289.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine is sourced from PubChem (CID 168582921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).