[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

C13H14Cl2N2OS — CID 61484577

IUPAC[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCc1nc(COc2c(Cl)cc(Cl)cc2CN)cs1
InChIInChI=1S/C13H14Cl2N2OS/c1-2-12-17-10(7-19-12)6-18-13-8(5-16)3-9(14)4-11(13)15/h3-4,7H,2,5-6,16H2,1H3
InChIKeySXPADWPCOILITD-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.05
Rot. Bonds5

About [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 61484577) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID61484577
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCc1nc(COc2c(Cl)cc(Cl)cc2CN)cs1
InChIInChI=1S/C13H14Cl2N2OS/c1-2-12-17-10(7-19-12)6-18-13-8(5-16)3-9(14)4-11(13)15/h3-4,7H,2,5-6,16H2,1H3
InChIKeySXPADWPCOILITD-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112607859
2-[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104666894
1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487461
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 60907800
N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60888100
1-[3,5-dichloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487233
N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61484700
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 61484577) is [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is CCc1nc(COc2c(Cl)cc(Cl)cc2CN)cs1.
What is the InChIKey of [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is SXPADWPCOILITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-2-12-17-10(7-19-12)6-18-13-8(5-16)3-9(14)4-11(13)15/h3-4,7H,2,5-6,16H2,1H3.
What are the key properties of [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 317.24 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 61484577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).