benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate

C19H25N3O2S — CID 103393709

IUPACbenzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCCc1cnc(C(C)NC2CC(NC(=O)OCc3ccccc3)C2)s1
InChIInChI=1S/C19H25N3O2S/c1-3-17-11-20-18(25-17)13(2)21-15-9-16(10-15)22-19(23)24-12-14-7-5-4-6-8-14/h4-8,11,13,15-16,21H,3,9-10,12H2,1-2H3,(H,22,23)
InChIKeyFGRXBPSAECUAMS-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.81
Rot. Bonds7

About benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate

benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 103393709) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
PubChem CID103393709
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Namebenzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCCc1cnc(C(C)NC2CC(NC(=O)OCc3ccccc3)C2)s1
InChIInChI=1S/C19H25N3O2S/c1-3-17-11-20-18(25-17)13(2)21-15-9-16(10-15)22-19(23)24-12-14-7-5-4-6-8-14/h4-8,11,13,15-16,21H,3,9-10,12H2,1-2H3,(H,22,23)
InChIKeyFGRXBPSAECUAMS-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 103393541
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
CID 103393285
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393607
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate (CID 103393709) is benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate is CCc1cnc(C(C)NC2CC(NC(=O)OCc3ccccc3)C2)s1.
What is the InChIKey of benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is FGRXBPSAECUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-17-11-20-18(25-17)13(2)21-15-9-16(10-15)22-19(23)24-12-14-7-5-4-6-8-14/h4-8,11,13,15-16,21H,3,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 359.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).