phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate

C13H15N3O2S — CID 162365120

IUPACphenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
SMILESCC(C)(C)c1nsc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H15N3O2S/c1-13(2,3)10-14-11(19-16-10)15-12(17)18-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)
InChIKeyOJKOJWGIXBCGOC-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.45
Rot. Bonds2

About phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate

phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate (PubChem CID 162365120) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
PubChem CID162365120
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namephenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
SMILESCC(C)(C)c1nsc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H15N3O2S/c1-13(2,3)10-14-11(19-16-10)15-12(17)18-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)
InChIKeyOJKOJWGIXBCGOC-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid
CID 175751128
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
phenyl N-[4-[2-(4-chlorophenyl)but-3-yn-2-yl]-1,3-thiazol-2-yl]carbamate
CID 171407865
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 121004815
phenyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
CID 23361835
phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
CID 169322759
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 132969372
phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 168872990
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
CID 86622750

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate?
The IUPAC name of phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate (CID 162365120) is phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate is CC(C)(C)c1nsc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate?
The InChIKey is OJKOJWGIXBCGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2,3)10-14-11(19-16-10)15-12(17)18-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17).
What are the key properties of phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate?
phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate has a molecular weight of 277.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate is sourced from PubChem (CID 162365120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).