[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine

C12H13ClN2OS — CID 114323843

IUPAC[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
SMILESCCc1csc(Oc2cccc(Cl)c2CN)n1
InChIInChI=1S/C12H13ClN2OS/c1-2-8-7-17-12(15-8)16-11-5-3-4-10(13)9(11)6-14/h3-5,7H,2,6,14H2,1H3
InChIKeyRGFSMRIMQKMRAV-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.61
Rot. Bonds4

About [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine

[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine (PubChem CID 114323843) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
PubChem CID114323843
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
SMILESCCc1csc(Oc2cccc(Cl)c2CN)n1
InChIInChI=1S/C12H13ClN2OS/c1-2-8-7-17-12(15-8)16-11-5-3-4-10(13)9(11)6-14/h3-5,7H,2,6,14H2,1H3
InChIKeyRGFSMRIMQKMRAV-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Chloro-2-methoxy-phenyl)-thiazol-2-ylamine
CID 2063560
2-(4-(5-Chloro-2-methoxyphenyl)thiazol-2-yl)acetonitrile
CID 911892
2-(4-Chlorophenoxy)-4-(2,6-dichlorophenyl)-1,3-thiazole
CID 76334149
4-(2-Chloro-4-fluoro-6-methoxyphenyl)thiazol-2-ylamine
CID 86690852
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60962049
(4-Methyl-1,3-thiazol-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 61330859
[2-Fluoro-6-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
CID 61700206
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62198257
[2-[(4-Ethyl-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]methanamine
CID 62961574
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831857
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 64481746
[2-[(4,5-Dimethyl-1,3-thiazol-2-yl)oxy]-6-fluorophenyl]methanamine
CID 65168469

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine (CID 114323843) is [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine is CCc1csc(Oc2cccc(Cl)c2CN)n1.
What is the InChIKey of [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine?
The InChIKey is RGFSMRIMQKMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-2-8-7-17-12(15-8)16-11-5-3-4-10(13)9(11)6-14/h3-5,7H,2,6,14H2,1H3.
What are the key properties of [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine?
[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine has a molecular weight of 268.77 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 114323843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).