methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate

C14H21N3O4S — CID 66601525

IUPACmethyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1CNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O4S/c1-14(2,3)21-13(19)17-6-9(7-17)15-5-10-11(12(18)20-4)16-8-22-10/h8-9,15H,5-7H2,1-4H3
InChIKeyKUAFXTHCZRCUFE-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.64
Rot. Bonds4

About methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate

methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 66601525) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID66601525
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Namemethyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1CNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O4S/c1-14(2,3)21-13(19)17-6-9(7-17)15-5-10-11(12(18)20-4)16-8-22-10/h8-9,15H,5-7H2,1-4H3
InChIKeyKUAFXTHCZRCUFE-UHFFFAOYSA-N
XLogP1.64
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(1H-1,2,4-triazol-5-ylmethylamino)azetidine-1-carboxylate
CID 55205937
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
tert-butyl (3S)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 71630557
tert-butyl 3-[(2-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 63302872
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
tert-butyl 5-(1,3-thiazol-2-ylmethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 126818908
tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
CID 63303317
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
tert-butyl 3-[(3-aminothiophen-2-yl)methylamino]azepane-1-carboxylate
CID 107249463
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
tert-butyl 3-[(3-bromo-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241926

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate (CID 66601525) is methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1CNC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is KUAFXTHCZRCUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-14(2,3)21-13(19)17-6-9(7-17)15-5-10-11(12(18)20-4)16-8-22-10/h8-9,15H,5-7H2,1-4H3.
What are the key properties of methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate?
methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).