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

C13H21N3O3S — CID 68516619

IUPACtert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(CN2CCOCC2)s1
InChIInChI=1S/C13H21N3O3S/c1-13(2,3)19-12(17)15-10-8-14-11(20-10)9-16-4-6-18-7-5-16/h8H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyKWXOOGNVKPJYBG-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.32
Rot. Bonds3

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

tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 68516619) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate
PubChem CID68516619
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nametert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(CN2CCOCC2)s1
InChIInChI=1S/C13H21N3O3S/c1-13(2,3)19-12(17)15-10-8-14-11(20-10)9-16-4-6-18-7-5-16/h8H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyKWXOOGNVKPJYBG-UHFFFAOYSA-N
XLogP2.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
2-(Morpholin-4-ylmethyl)-1,3-thiazol-5-amine
CID 22397141
(2-Vinyl-thiazol-5-yl)-carbamic acid tert-butyl ester
CID 59503612
Tert-butyl (2-formylthiazol-5-yl)carbamate
CID 59503642
Tert-butyl (2-(hydroxymethyl)thiazol-5-yl)carbamate
CID 86695276
Methyl 5-((tert-butoxycarbonyl)amino)thiazole-2-carboxylate
CID 91666188
tert-Butyl (2-ethylthiazol-5-yl)carbamate
CID 92133785

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate (CID 68516619) is tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(CN2CCOCC2)s1.
What is the InChIKey of tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is KWXOOGNVKPJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(2,3)19-12(17)15-10-8-14-11(20-10)9-16-4-6-18-7-5-16/h8H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 299.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 68516619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).