tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate

C16H20N4O3S — CID 118230891

IUPACtert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESCN(C)C(=O)c1ccc(N(C(=O)OC(C)(C)C)c2nncs2)cc1
InChIInChI=1S/C16H20N4O3S/c1-16(2,3)23-15(22)20(14-18-17-10-24-14)12-8-6-11(7-9-12)13(21)19(4)5/h6-10H,1-5H3
InChIKeyVPHPDXZIMPAZNP-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.31
Rot. Bonds3

About tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate

tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 118230891) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate
PubChem CID118230891
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Nametert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESCN(C)C(=O)c1ccc(N(C(=O)OC(C)(C)C)c2nncs2)cc1
InChIInChI=1S/C16H20N4O3S/c1-16(2,3)23-15(22)20(14-18-17-10-24-14)12-8-6-11(7-9-12)13(21)19(4)5/h6-10H,1-5H3
InChIKeyVPHPDXZIMPAZNP-UHFFFAOYSA-N
XLogP3.31
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate (CID 118230891) is tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate is CN(C)C(=O)c1ccc(N(C(=O)OC(C)(C)C)c2nncs2)cc1.
What is the InChIKey of tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is VPHPDXZIMPAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-16(2,3)23-15(22)20(14-18-17-10-24-14)12-8-6-11(7-9-12)13(21)19(4)5/h6-10H,1-5H3.
What are the key properties of tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate?
tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 348.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(dimethylcarbamoyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 118230891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).