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

C17H23N3O2S — CID 142744426

IUPAC[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCN(C)c1ccc(-c2ncc(COC(=O)NC(C)(C)C)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)19-16(21)22-11-14-10-18-15(23-14)12-6-8-13(9-7-12)20(4)5/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyYDMFJESGWZSRSO-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.90
Rot. Bonds4

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

[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (PubChem CID 142744426) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
PubChem CID142744426
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCN(C)c1ccc(-c2ncc(COC(=O)NC(C)(C)C)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)19-16(21)22-11-14-10-18-15(23-14)12-6-8-13(9-7-12)20(4)5/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyYDMFJESGWZSRSO-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (CID 142744426) is [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is CN(C)c1ccc(-c2ncc(COC(=O)NC(C)(C)C)s2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The InChIKey is YDMFJESGWZSRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,3)19-16(21)22-11-14-10-18-15(23-14)12-6-8-13(9-7-12)20(4)5/h6-10H,11H2,1-5H3,(H,19,21).
What are the key properties of [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate has a molecular weight of 333.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 142744426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).