N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C15H15N3S2 — CID 91660467

IUPACN-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1ccncc1)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C15H15N3S2/c1-18(9-12-4-6-16-7-5-12)10-13-11-20-15(17-13)14-3-2-8-19-14/h2-8,11H,9-10H2,1H3
InChIKeyKAKWSMMHPIOLOO-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.90
Rot. Bonds5

About N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine

N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 91660467) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID91660467
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC NameN-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1ccncc1)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C15H15N3S2/c1-18(9-12-4-6-16-7-5-12)10-13-11-20-15(17-13)14-3-2-8-19-14/h2-8,11H,9-10H2,1H3
InChIKeyKAKWSMMHPIOLOO-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 91660467) is N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine is CN(Cc1ccncc1)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is KAKWSMMHPIOLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-18(9-12-4-6-16-7-5-12)10-13-11-20-15(17-13)14-3-2-8-19-14/h2-8,11H,9-10H2,1H3.
What are the key properties of N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 301.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 91660467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).