tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate

C16H20ClN3O2S — CID 103759396

IUPACtert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2c(Cl)ccc3scnc23)C1
InChIInChI=1S/C16H20ClN3O2S/c1-16(2,3)22-15(21)20-10-6-9(7-10)19-13-11(17)4-5-12-14(13)18-8-23-12/h4-5,8-10,19H,6-7H2,1-3H3,(H,20,21)
InChIKeyCFUPWRVJFJXHJN-UHFFFAOYSA-N
MW353.88 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate (PubChem CID 103759396) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate
PubChem CID103759396
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Nametert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2c(Cl)ccc3scnc23)C1
InChIInChI=1S/C16H20ClN3O2S/c1-16(2,3)22-15(21)20-10-6-9(7-10)19-13-11(17)4-5-12-14(13)18-8-23-12/h4-5,8-10,19H,6-7H2,1-3H3,(H,20,21)
InChIKeyCFUPWRVJFJXHJN-UHFFFAOYSA-N
XLogP4.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
CID 178183775
5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
CID 65070161
tert-butyl N-[3-(2-chloro-5-cyanoanilino)cyclobutyl]carbamate
CID 103759680
tert-butyl N-[3-(5-bromo-2-chloroanilino)cyclohexyl]carbamate
CID 103720210
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate (CID 103759396) is tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2c(Cl)ccc3scnc23)C1.
What is the InChIKey of tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate?
The InChIKey is CFUPWRVJFJXHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-16(2,3)22-15(21)20-10-6-9(7-10)19-13-11(17)4-5-12-14(13)18-8-23-12/h4-5,8-10,19H,6-7H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate has a molecular weight of 353.88 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103759396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).