(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

C15H19N3O2S — CID 51958490

IUPAC(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nncs1
InChIInChI=1S/C15H19N3O2S/c1-10(13(19)17-14-18-16-9-21-14)20-12-7-5-6-11(8-12)15(2,3)4/h5-10H,1-4H3,(H,17,18,19)/t10-/m1/s1
InChIKeyFLMSOWRXJAWTPB-SNVBAGLBSA-N
MW305.40 g/mol
LogP3.24
Rot. Bonds4

About (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 51958490) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID51958490
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nncs1
InChIInChI=1S/C15H19N3O2S/c1-10(13(19)17-14-18-16-9-21-14)20-12-7-5-6-11(8-12)15(2,3)4/h5-10H,1-4H3,(H,17,18,19)/t10-/m1/s1
InChIKeyFLMSOWRXJAWTPB-SNVBAGLBSA-N
XLogP3.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 874230
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
methyl 3-[2-(3-tert-butylphenoxy)propanoylamino]butanoate
CID 60559643
2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 112786159
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526
N'-[2-(3-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 55789103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 51958490) is (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nncs1.
What is the InChIKey of (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is FLMSOWRXJAWTPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(13(19)17-14-18-16-9-21-14)20-12-7-5-6-11(8-12)15(2,3)4/h5-10H,1-4H3,(H,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 51958490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).