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

C17H21N3O2S — CID 103393285

IUPACbenzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
SMILESCc1ncc(CNC2CC(NC(=O)OCc3ccccc3)C2)s1
InChIInChI=1S/C17H21N3O2S/c1-12-18-9-16(23-12)10-19-14-7-15(8-14)20-17(21)22-11-13-5-3-2-4-6-13/h2-6,9,14-15,19H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyBHHCSIXFQJKUMT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.00
Rot. Bonds6

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

benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate (PubChem CID 103393285) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
PubChem CID103393285
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Namebenzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
SMILESCc1ncc(CNC2CC(NC(=O)OCc3ccccc3)C2)s1
InChIInChI=1S/C17H21N3O2S/c1-12-18-9-16(23-12)10-19-14-7-15(8-14)20-17(21)22-11-13-5-3-2-4-6-13/h2-6,9,14-15,19H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyBHHCSIXFQJKUMT-UHFFFAOYSA-N
XLogP3.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393456
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
CID 103393516
benzyl N-[3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 103393709
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 106483964

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate (CID 103393285) is benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate is Cc1ncc(CNC2CC(NC(=O)OCc3ccccc3)C2)s1.
What is the InChIKey of benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate?
The InChIKey is BHHCSIXFQJKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-18-9-16(23-12)10-19-14-7-15(8-14)20-17(21)22-11-13-5-3-2-4-6-13/h2-6,9,14-15,19H,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate?
benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate has a molecular weight of 331.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103393285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).