1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C12H16N2S2 — CID 63095222

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1csc(C(C)NCc2ccc(C)s2)n1
InChIInChI=1S/C12H16N2S2/c1-8-7-15-12(14-8)10(3)13-6-11-5-4-9(2)16-11/h4-5,7,10,13H,6H2,1-3H3
InChIKeyDNQJUPVQSRABNS-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 63095222) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID63095222
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1csc(C(C)NCc2ccc(C)s2)n1
InChIInChI=1S/C12H16N2S2/c1-8-7-15-12(14-8)10(3)13-6-11-5-4-9(2)16-11/h4-5,7,10,13H,6H2,1-3H3
InChIKeyDNQJUPVQSRABNS-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 63095222) is 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1csc(C(C)NCc2ccc(C)s2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DNQJUPVQSRABNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8-7-15-12(14-8)10(3)13-6-11-5-4-9(2)16-11/h4-5,7,10,13H,6H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63095222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).