2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole

C16H20N2O2S — CID 18950763

IUPAC2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole
SMILESCC(C)(C)Oc1ccc(OCc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)20-13-8-6-12(7-9-13)19-10-14-17-18-15(21-14)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKeyBHDLOIZWURSWLQ-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.17
Rot. Bonds5

About 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole

2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole (PubChem CID 18950763) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole
PubChem CID18950763
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole
SMILESCC(C)(C)Oc1ccc(OCc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)20-13-8-6-12(7-9-13)19-10-14-17-18-15(21-14)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3
InChIKeyBHDLOIZWURSWLQ-UHFFFAOYSA-N
XLogP4.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3,4-thiadiazole
CID 141471130
5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 699090
[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614512
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
2-(4-decoxyphenyl)-5-(4-pentylcyclohexyl)-1,3,4-thiadiazole
CID 59928886
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-3-methoxy-5-methylsulfonylaniline
CID 167808569
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
2-[(4-tert-butylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422837

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole (CID 18950763) is 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole is CC(C)(C)Oc1ccc(OCc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole?
The InChIKey is BHDLOIZWURSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)20-13-8-6-12(7-9-13)19-10-14-17-18-15(21-14)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole has a molecular weight of 304.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 18950763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).