tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate

C17H23N3O2S — CID 103818744

IUPACtert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
SMILESCN(Cc1ccccc1NCc1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20(4)11-13-7-5-6-8-15(13)19-10-14-9-18-12-23-14/h5-9,12,19H,10-11H2,1-4H3
InChIKeyJTPJUYQWJGQEQB-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.12
Rot. Bonds5

About tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate (PubChem CID 103818744) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
PubChem CID103818744
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nametert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
SMILESCN(Cc1ccccc1NCc1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20(4)11-13-7-5-6-8-15(13)19-10-14-9-18-12-23-14/h5-9,12,19H,10-11H2,1-4H3
InChIKeyJTPJUYQWJGQEQB-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
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tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
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N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate (CID 103818744) is tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate is CN(Cc1ccccc1NCc1cncs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate?
The InChIKey is JTPJUYQWJGQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20(4)11-13-7-5-6-8-15(13)19-10-14-9-18-12-23-14/h5-9,12,19H,10-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate has a molecular weight of 333.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 103818744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).