1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine

C11H11ClN2OS — CID 46785285

IUPAC1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1sc(Oc2ccccc2)nc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-13-7-9-10(12)14-11(16-9)15-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyUYVVSXNKHRSQNR-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine

1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 46785285) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID46785285
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1sc(Oc2ccccc2)nc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-13-7-9-10(12)14-11(16-9)15-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3
InChIKeyUYVVSXNKHRSQNR-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine (CID 46785285) is 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine is CNCc1sc(Oc2ccccc2)nc1Cl.
What is the InChIKey of 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is UYVVSXNKHRSQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-13-7-9-10(12)14-11(16-9)15-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3.
What are the key properties of 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 254.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-phenoxy-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 46785285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).