[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate

C23H33N3O3S — CID 142744449

IUPAC[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCN(C)CC1(COc2ccc(-c3ncc(COC(=O)NC(C)(C)C)s3)cc2)CCC1
InChIInChI=1S/C23H33N3O3S/c1-22(2,3)25-21(27)28-14-19-13-24-20(30-19)17-7-9-18(10-8-17)29-16-23(11-6-12-23)15-26(4)5/h7-10,13H,6,11-12,14-16H2,1-5H3,(H,25,27)
InChIKeyDXZYVVJMWDTEIV-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.95
Rot. Bonds8

About [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate

[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (PubChem CID 142744449) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
PubChem CID142744449
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCN(C)CC1(COc2ccc(-c3ncc(COC(=O)NC(C)(C)C)s3)cc2)CCC1
InChIInChI=1S/C23H33N3O3S/c1-22(2,3)25-21(27)28-14-19-13-24-20(30-19)17-7-9-18(10-8-17)29-16-23(11-6-12-23)15-26(4)5/h7-10,13H,6,11-12,14-16H2,1-5H3,(H,25,27)
InChIKeyDXZYVVJMWDTEIV-UHFFFAOYSA-N
XLogP4.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (CID 142744449) is [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is CN(C)CC1(COc2ccc(-c3ncc(COC(=O)NC(C)(C)C)s3)cc2)CCC1.
What is the InChIKey of [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The InChIKey is DXZYVVJMWDTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-22(2,3)25-21(27)28-14-19-13-24-20(30-19)17-7-9-18(10-8-17)29-16-23(11-6-12-23)15-26(4)5/h7-10,13H,6,11-12,14-16H2,1-5H3,(H,25,27).
What are the key properties of [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate has a molecular weight of 431.60 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 142744449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).