(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

C13H15N3OS — CID 1451460

IUPAC(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-3-9(2)11(17)14-13-16-15-12(18-13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16,17)/t9-/m1/s1
InChIKeyBXBGRMBFFQSKSV-SECBINFHSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds4

About (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1451460) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1451460
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-3-9(2)11(17)14-13-16-15-12(18-13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16,17)/t9-/m1/s1
InChIKeyBXBGRMBFFQSKSV-SECBINFHSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
(2S)-N-[(2S)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]-2-phenylbutanamide
CID 7398333
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
CID 7361927
2-ethyl-N-[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]hexanamide
CID 4607088
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
2-(diethylamino)-2-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56553192
(2S)-2-(2-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100536622
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]cyclopropanecarboxamide
CID 7412359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (CID 1451460) is (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is BXBGRMBFFQSKSV-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-9(2)11(17)14-13-16-15-12(18-13)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 261.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1451460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).