tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate

C16H21N3O2S — CID 59580635

IUPACtert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H21N3O2S/c1-6-19(15(20)21-16(3,4)5)14-11(2)18-13(22-14)12-8-7-9-17-10-12/h7-10H,6H2,1-5H3
InChIKeyUMMIMSSRVMWJNB-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate

tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 59580635) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
PubChem CID59580635
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H21N3O2S/c1-6-19(15(20)21-16(3,4)5)14-11(2)18-13(22-14)12-8-7-9-17-10-12/h7-10H,6H2,1-5H3
InChIKeyUMMIMSSRVMWJNB-UHFFFAOYSA-N
XLogP4.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)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-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (CID 59580635) is tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is CCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The InChIKey is UMMIMSSRVMWJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-6-19(15(20)21-16(3,4)5)14-11(2)18-13(22-14)12-8-7-9-17-10-12/h7-10H,6H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 319.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 59580635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).