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

C13H11N3S2 — CID 972421

IUPACN-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C13H11N3S2/c1-9-4-5-12(14-7-9)16-13-15-10(8-18-13)11-3-2-6-17-11/h2-8H,1H3,(H,14,15,16)
InChIKeyLBFZDXJHGLLUAA-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.32
Rot. Bonds3

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

N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 972421) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID972421
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC NameN-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cccs3)cs2)nc1
InChIInChI=1S/C13H11N3S2/c1-9-4-5-12(14-7-9)16-13-15-10(8-18-13)11-3-2-6-17-11/h2-8H,1H3,(H,14,15,16)
InChIKeyLBFZDXJHGLLUAA-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 972421) is N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3cccs3)cs2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is LBFZDXJHGLLUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c1-9-4-5-12(14-7-9)16-13-15-10(8-18-13)11-3-2-6-17-11/h2-8H,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 273.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).