[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine

C11H11ClN2OS — CID 82482117

IUPAC[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
SMILESCOc1ccc(Cl)cc1-c1cc(CN)sn1
InChIInChI=1S/C11H11ClN2OS/c1-15-11-3-2-7(12)4-9(11)10-5-8(6-13)16-14-10/h2-5H,6,13H2,1H3
InChIKeyBIYVNWGEDGJUAL-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.93
Rot. Bonds3

About [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine

[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine (PubChem CID 82482117) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
PubChem CID82482117
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
SMILESCOc1ccc(Cl)cc1-c1cc(CN)sn1
InChIInChI=1S/C11H11ClN2OS/c1-15-11-3-2-7(12)4-9(11)10-5-8(6-13)16-14-10/h2-5H,6,13H2,1H3
InChIKeyBIYVNWGEDGJUAL-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487477
2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82486849
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine?
The IUPAC name of [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine (CID 82482117) is [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine?
The canonical SMILES for [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine is COc1ccc(Cl)cc1-c1cc(CN)sn1.
What is the InChIKey of [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine?
The InChIKey is BIYVNWGEDGJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-15-11-3-2-7(12)4-9(11)10-5-8(6-13)16-14-10/h2-5H,6,13H2,1H3.
What are the key properties of [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine?
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine has a molecular weight of 254.74 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine is sourced from PubChem (CID 82482117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).