tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate

C18H24N4O3S — CID 70810298

IUPACtert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccncc2)sc1CN1CCOCC1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)25-17(23)21-15-14(12-22-8-10-24-11-9-22)26-16(20-15)13-4-6-19-7-5-13/h4-7H,8-12H2,1-3H3,(H,21,23)
InChIKeyYDQPQLIFWUJOGA-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate

tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate (PubChem CID 70810298) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
PubChem CID70810298
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nametert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccncc2)sc1CN1CCOCC1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)25-17(23)21-15-14(12-22-8-10-24-11-9-22)26-16(20-15)13-4-6-19-7-5-13/h4-7H,8-12H2,1-3H3,(H,21,23)
InChIKeyYDQPQLIFWUJOGA-UHFFFAOYSA-N
XLogP3.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-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-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate (CID 70810298) is tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(-c2ccncc2)sc1CN1CCOCC1.
What is the InChIKey of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
The InChIKey is YDQPQLIFWUJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-18(2,3)25-17(23)21-15-14(12-22-8-10-24-11-9-22)26-16(20-15)13-4-6-19-7-5-13/h4-7H,8-12H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate has a molecular weight of 376.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 70810298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).