tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate

C18H27N3O4S — CID 71051298

IUPACtert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate
SMILESCCc1cncc(OC[C@H](COC2=NCCS2)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H27N3O4S/c1-5-13-8-15(10-19-9-13)23-11-14(12-24-17-20-6-7-26-17)21-16(22)25-18(2,3)4/h8-10,14H,5-7,11-12H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyBITOQOQYAWTAHJ-CQSZACIVSA-N
MW381.50 g/mol
LogP3.04
Rot. Bonds7

About tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate (PubChem CID 71051298) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate
PubChem CID71051298
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Nametert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate
SMILESCCc1cncc(OC[C@H](COC2=NCCS2)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H27N3O4S/c1-5-13-8-15(10-19-9-13)23-11-14(12-24-17-20-6-7-26-17)21-16(22)25-18(2,3)4/h8-10,14H,5-7,11-12H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyBITOQOQYAWTAHJ-CQSZACIVSA-N
XLogP3.04
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-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-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate (CID 71051298) is tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate is CCc1cncc(OC[C@H](COC2=NCCS2)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate?
The InChIKey is BITOQOQYAWTAHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-5-13-8-15(10-19-9-13)23-11-14(12-24-17-20-6-7-26-17)21-16(22)25-18(2,3)4/h8-10,14H,5-7,11-12H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate has a molecular weight of 381.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(4,5-dihydro-1,3-thiazol-2-yloxy)-3-[(5-ethyl-3-pyridinyl)oxy]propan-2-yl]carbamate is sourced from PubChem (CID 71051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).