tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate

C21H30N4O4S — CID 132779028

IUPACtert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate
SMILESCCCc1cnc(Nc2cccc(C3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1
InChIInChI=1S/C21H30N4O4S/c1-5-7-15-12-22-18(30-15)24-17-9-6-8-16(23-17)21(14-26)13-25(10-11-28-21)19(27)29-20(2,3)4/h6,8-9,12,26H,5,7,10-11,13-14H2,1-4H3,(H,22,23,24)
InChIKeyLSWBNJUPPHHTCY-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.69
Rot. Bonds6

About tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate

tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate (PubChem CID 132779028) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate
PubChem CID132779028
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Nametert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate
SMILESCCCc1cnc(Nc2cccc(C3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1
InChIInChI=1S/C21H30N4O4S/c1-5-7-15-12-22-18(30-15)24-17-9-6-8-16(23-17)21(14-26)13-25(10-11-28-21)19(27)29-20(2,3)4/h6,8-9,12,26H,5,7,10-11,13-14H2,1-4H3,(H,22,23,24)
InChIKeyLSWBNJUPPHHTCY-UHFFFAOYSA-N
XLogP3.69
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[4-[6-[(5-butyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-2-methylpyrrolidine-1-carboxylate
CID 132780816
tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate
CID 155985712
morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 132778578
tert-butyl 3-(6-bromo-2-pyridinyl)-3-hydroxyazetidine-1-carboxylate
CID 155978021
tert-butyl 4-methyl-4-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 110095825
tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 100911271
1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 175658693
tert-butyl 2-(5-methoxypyrimidine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 131684259
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
tert-butyl 4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46525028
tert-butyl 3-[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 118980447
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate (CID 132779028) is tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate is CCCc1cnc(Nc2cccc(C3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1.
What is the InChIKey of tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate?
The InChIKey is LSWBNJUPPHHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-5-7-15-12-22-18(30-15)24-17-9-6-8-16(23-17)21(14-26)13-25(10-11-28-21)19(27)29-20(2,3)4/h6,8-9,12,26H,5,7,10-11,13-14H2,1-4H3,(H,22,23,24).
What are the key properties of tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate?
tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate has a molecular weight of 434.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(hydroxymethyl)-2-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholine-4-carboxylate is sourced from PubChem (CID 132779028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).