N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine

C12H16N2S2 — CID 104513339

IUPACN-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC(C)c1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C12H16N2S2/c1-8(7-13-3)12-14-11(9(2)16-12)10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3
InChIKeyAVSKXMMVDUKOFR-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine

N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104513339) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID104513339
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC(C)c1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C12H16N2S2/c1-8(7-13-3)12-14-11(9(2)16-12)10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3
InChIKeyAVSKXMMVDUKOFR-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 104513339) is N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine is CNCC(C)c1nc(-c2cccs2)c(C)s1.
What is the InChIKey of N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is AVSKXMMVDUKOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8(7-13-3)12-14-11(9(2)16-12)10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104513339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).