1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H14N2S2 — CID 62318685

IUPAC1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1ccc(-c2ncc(CNC)s2)s1
InChIInChI=1S/C11H14N2S2/c1-3-8-4-5-10(14-8)11-13-7-9(15-11)6-12-2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyCBANVYQWWZZGDC-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62318685) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62318685
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1ccc(-c2ncc(CNC)s2)s1
InChIInChI=1S/C11H14N2S2/c1-3-8-4-5-10(14-8)11-13-7-9(15-11)6-12-2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyCBANVYQWWZZGDC-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62318685) is 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1ccc(-c2ncc(CNC)s2)s1.
What is the InChIKey of 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CBANVYQWWZZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-3-8-4-5-10(14-8)11-13-7-9(15-11)6-12-2/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 238.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62318685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).