methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate

C15H19N3O2S — CID 62011182

IUPACmethyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate
SMILESCCCN(CC(=O)OC)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H19N3O2S/c1-3-8-18(10-14(19)20-2)9-12-11-21-15(17-12)13-6-4-5-7-16-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyAYHNGLCBVXJYSQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.59
Rot. Bonds7

About methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate

methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate (PubChem CID 62011182) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate
PubChem CID62011182
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namemethyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate
SMILESCCCN(CC(=O)OC)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H19N3O2S/c1-3-8-18(10-14(19)20-2)9-12-11-21-15(17-12)13-6-4-5-7-16-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyAYHNGLCBVXJYSQ-UHFFFAOYSA-N
XLogP2.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate (CID 62011182) is methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate is CCCN(CC(=O)OC)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate?
The InChIKey is AYHNGLCBVXJYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-8-18(10-14(19)20-2)9-12-11-21-15(17-12)13-6-4-5-7-16-13/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate?
methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate has a molecular weight of 305.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetate is sourced from PubChem (CID 62011182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).