tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate

C16H21N3O2S — CID 75440351

IUPACtert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCN(CCc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)19(4)9-7-14-18-13(11-22-14)12-6-5-8-17-10-12/h5-6,8,10-11H,7,9H2,1-4H3
InChIKeyIZULDVDZARMUHY-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate

tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 75440351) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID75440351
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCN(CCc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)19(4)9-7-14-18-13(11-22-14)12-6-5-8-17-10-12/h5-6,8,10-11H,7,9H2,1-4H3
InChIKeyIZULDVDZARMUHY-UHFFFAOYSA-N
XLogP3.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate 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 tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate (CID 75440351) is tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate is CN(CCc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is IZULDVDZARMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)19(4)9-7-14-18-13(11-22-14)12-6-5-8-17-10-12/h5-6,8,10-11H,7,9H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 319.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 75440351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).