N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine

C11H14N2S2 — CID 61346977

IUPACN-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-3-12-10(11-13-6-7-14-11)9-5-4-8(2)15-9/h4-7,10,12H,3H2,1-2H3
InChIKeyQPQVPXVMBJLDOC-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.21
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine

N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61346977) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61346977
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-3-12-10(11-13-6-7-14-11)9-5-4-8(2)15-9/h4-7,10,12H,3H2,1-2H3
InChIKeyQPQVPXVMBJLDOC-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 61346977) is N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1nccs1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is QPQVPXVMBJLDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-3-12-10(11-13-6-7-14-11)9-5-4-8(2)15-9/h4-7,10,12H,3H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 238.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61346977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).