(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide

C16H21N3OS — CID 1122478

IUPAC(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-11(12-8-6-5-7-9-12)10-13(20)17-15-19-18-14(21-15)16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,19,20)/t11-/m1/s1
InChIKeyFXVNHEXAHBWVSB-LLVKDONJSA-N
MW303.43 g/mol
LogP3.97
Rot. Bonds4

About (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide

(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide (PubChem CID 1122478) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
PubChem CID1122478
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-11(12-8-6-5-7-9-12)10-13(20)17-15-19-18-14(21-15)16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,19,20)/t11-/m1/s1
InChIKeyFXVNHEXAHBWVSB-LLVKDONJSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
(3R)-3-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8003941
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 119777277
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
CID 2005532
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175
3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 2931255
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45493521
3,5,5-trimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)hexanamide
CID 134157729
2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55908702

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
The IUPAC name of (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide (CID 1122478) is (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide is C[C@H](CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1.
What is the InChIKey of (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
The InChIKey is FXVNHEXAHBWVSB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(12-8-6-5-7-9-12)10-13(20)17-15-19-18-14(21-15)16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,19,20)/t11-/m1/s1.
What are the key properties of (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide has a molecular weight of 303.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 1122478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).