tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate

C19H24N2O2S — CID 175356304

IUPACtert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate
SMILESCc1ncsc1-c1ccc(C2(NC(=O)OC(C)(C)C)CCC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-16(24-12-20-13)14-6-8-15(9-7-14)19(10-5-11-19)21-17(22)23-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyZRZZVWAULTUDQK-UHFFFAOYSA-N
MW344.48 g/mol
LogP5.02
Rot. Bonds3

About tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate (PubChem CID 175356304) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate
PubChem CID175356304
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Nametert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate
SMILESCc1ncsc1-c1ccc(C2(NC(=O)OC(C)(C)C)CCC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-16(24-12-20-13)14-6-8-15(9-7-14)19(10-5-11-19)21-17(22)23-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyZRZZVWAULTUDQK-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate (CID 175356304) is tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate is Cc1ncsc1-c1ccc(C2(NC(=O)OC(C)(C)C)CCC2)cc1.
What is the InChIKey of tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is ZRZZVWAULTUDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-16(24-12-20-13)14-6-8-15(9-7-14)19(10-5-11-19)21-17(22)23-18(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 344.48 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 175356304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).