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

C14H23N3O2S — CID 80562083

IUPACtert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCc2cscn2)C1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)19-13(18)17-12-6-11(7-12)15-5-4-10-8-20-9-16-10/h8-9,11-12,15H,4-7H2,1-3H3,(H,17,18)
InChIKeyCQWSCMCPRQXREW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.33
Rot. Bonds5

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

tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 80562083) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
PubChem CID80562083
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nametert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCc2cscn2)C1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)19-13(18)17-12-6-11(7-12)15-5-4-10-8-20-9-16-10/h8-9,11-12,15H,4-7H2,1-3H3,(H,17,18)
InChIKeyCQWSCMCPRQXREW-UHFFFAOYSA-N
XLogP2.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 106041710
tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
CID 110422808
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
CID 107850172
3-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclobutan-1-amine
CID 63829517
N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759630
2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(1,3-thiazol-4-yl)propanoic acid
CID 106490246
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate (CID 80562083) is tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCCc2cscn2)C1.
What is the InChIKey of tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is CQWSCMCPRQXREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,3)19-13(18)17-12-6-11(7-12)15-5-4-10-8-20-9-16-10/h8-9,11-12,15H,4-7H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 297.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 80562083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).