4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine

C12H15N3S — CID 65169271

IUPAC4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCc2ccncc2)sc1C
InChIInChI=1S/C12H15N3S/c1-9-10(2)16-12(15-9)14-8-5-11-3-6-13-7-4-11/h3-4,6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeyXRZAOVJDIFOCLV-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.81
Rot. Bonds4

About 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine (PubChem CID 65169271) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
PubChem CID65169271
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCCc2ccncc2)sc1C
InChIInChI=1S/C12H15N3S/c1-9-10(2)16-12(15-9)14-8-5-11-3-6-13-7-4-11/h3-4,6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeyXRZAOVJDIFOCLV-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine (CID 65169271) is 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine is Cc1nc(NCCc2ccncc2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is XRZAOVJDIFOCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-10(2)16-12(15-9)14-8-5-11-3-6-13-7-4-11/h3-4,6-7H,5,8H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65169271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).