(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C14H18N4OS — CID 8558062

IUPAC(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](Nc1cccc(C)c1)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C14H18N4OS/c1-4-12(15-11-7-5-6-9(2)8-11)13(19)16-14-18-17-10(3)20-14/h5-8,12,15H,4H2,1-3H3,(H,16,18,19)/t12-/m0/s1
InChIKeyIYGIZJWTBHIEEP-LBPRGKRZSA-N
MW290.39 g/mol
LogP2.98
Rot. Bonds5

About (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 8558062) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID8558062
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](Nc1cccc(C)c1)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C14H18N4OS/c1-4-12(15-11-7-5-6-9(2)8-11)13(19)16-14-18-17-10(3)20-14/h5-8,12,15H,4H2,1-3H3,(H,16,18,19)/t12-/m0/s1
InChIKeyIYGIZJWTBHIEEP-LBPRGKRZSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8558307
(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8562270
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 6500928
(2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7339535
(E)-4-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18898808
(2S,3R)-3-methyl-2-[(3-methylphenyl)carbamoylamino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 92517038
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328
(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 18894694
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
3-methyl-N-[(2S)-3-methyl-1-oxo-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 2089556
2-acetamido-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3926710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 8558062) is (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@H](Nc1cccc(C)c1)C(=O)Nc1nnc(C)s1.
What is the InChIKey of (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is IYGIZJWTBHIEEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-12(15-11-7-5-6-9(2)8-11)13(19)16-14-18-17-10(3)20-14/h5-8,12,15H,4H2,1-3H3,(H,16,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 290.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 8558062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).