tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate

C17H22N4O2S — CID 87890337

IUPACtert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate
SMILESCC(C)c1nsc(/C=C/c2cncc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C17H22N4O2S/c1-11(2)15-20-14(24-21-15)7-6-12-8-13(10-18-9-12)19-16(22)23-17(3,4)5/h6-11H,1-5H3,(H,19,22)/b7-6+
InChIKeyIXXQLOSKJPBGBX-VOTSOKGWSA-N
MW346.46 g/mol
LogP4.57
Rot. Bonds4

About tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate

tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate (PubChem CID 87890337) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate
PubChem CID87890337
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Nametert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate
SMILESCC(C)c1nsc(/C=C/c2cncc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C17H22N4O2S/c1-11(2)15-20-14(24-21-15)7-6-12-8-13(10-18-9-12)19-16(22)23-17(3,4)5/h6-11H,1-5H3,(H,19,22)/b7-6+
InChIKeyIXXQLOSKJPBGBX-VOTSOKGWSA-N
XLogP4.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamate
CID 76675786
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
CID 131735483
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 53401501
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl] ethanesulfonate
CID 174776753
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
CID 57416500
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
CID 70964240
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[5-(phenylmethoxycarbamoyl)-3-pyridinyl]carbamate
CID 164753912

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate (CID 87890337) is tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate is CC(C)c1nsc(/C=C/c2cncc(NC(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate?
The InChIKey is IXXQLOSKJPBGBX-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(2)15-20-14(24-21-15)7-6-12-8-13(10-18-9-12)19-16(22)23-17(3,4)5/h6-11H,1-5H3,(H,19,22)/b7-6+.
What are the key properties of tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate?
tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate has a molecular weight of 346.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(E)-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethenyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 87890337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).