tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate

C18H29N3O5S — CID 166392807

IUPACtert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate
SMILESCOCc1nc(COC(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C18H29N3O5S/c1-18(2,3)26-17(23)21-13-7-12(8-13)5-6-19-16(22)25-9-14-11-27-15(20-14)10-24-4/h11-13H,5-10H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyDAMWARGAIWFHCW-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.21
Rot. Bonds8

About tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate

tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate (PubChem CID 166392807) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate
PubChem CID166392807
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Nametert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate
SMILESCOCc1nc(COC(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C18H29N3O5S/c1-18(2,3)26-17(23)21-13-7-12(8-13)5-6-19-16(22)25-9-14-11-27-15(20-14)10-24-4/h11-13H,5-10H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyDAMWARGAIWFHCW-UHFFFAOYSA-N
XLogP3.21
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate with MolForge

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Related Compounds

benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 110398286
[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
CID 154352464
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate
CID 158741772
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8735177
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methoxycarbonylamino]propanoate
CID 59166660
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
methyl 3-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70088202

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate (CID 166392807) is tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate is COCc1nc(COC(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)cs1.
What is the InChIKey of tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate?
The InChIKey is DAMWARGAIWFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-18(2,3)26-17(23)21-13-7-12(8-13)5-6-19-16(22)25-9-14-11-27-15(20-14)10-24-4/h11-13H,5-10H2,1-4H3,(H,19,22)(H,21,23).
What are the key properties of tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate?
tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate has a molecular weight of 399.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methoxycarbonylamino]ethyl]cyclobutyl]carbamate is sourced from PubChem (CID 166392807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).