N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline

C15H13ClN4OS — CID 168583427

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline
SMILESCc1cncc(Oc2cccc(NCc3cnc(Cl)s3)c2)n1
InChIInChI=1S/C15H13ClN4OS/c1-10-6-17-9-14(20-10)21-12-4-2-3-11(5-12)18-7-13-8-19-15(16)22-13/h2-6,8-9,18H,7H2,1H3
InChIKeyKPAAVXYUROKZGJ-UHFFFAOYSA-N
MW332.82 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline (PubChem CID 168583427) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline
PubChem CID168583427
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline
SMILESCc1cncc(Oc2cccc(NCc3cnc(Cl)s3)c2)n1
InChIInChI=1S/C15H13ClN4OS/c1-10-6-17-9-14(20-10)21-12-4-2-3-11(5-12)18-7-13-8-19-15(16)22-13/h2-6,8-9,18H,7H2,1H3
InChIKeyKPAAVXYUROKZGJ-UHFFFAOYSA-N
XLogP4.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(trifluoromethoxy)aniline
CID 168579556
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropoxy)aniline
CID 168579677
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenoxy)aniline
CID 168583067
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 168581794
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
CID 168579725
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
2-(3-ethylphenoxy)-6-methylpyrazine
CID 126676392
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
CID 168582921
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline (CID 168583427) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline is Cc1cncc(Oc2cccc(NCc3cnc(Cl)s3)c2)n1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline?
The InChIKey is KPAAVXYUROKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-10-6-17-9-14(20-10)21-12-4-2-3-11(5-12)18-7-13-8-19-15(16)22-13/h2-6,8-9,18H,7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline has a molecular weight of 332.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(6-methylpyrazin-2-yl)oxyaniline is sourced from PubChem (CID 168583427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).