(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C15H14N4O2S — CID 94017800

IUPAC(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H14N4O2S/c1-8-11-6-4-5-7-12(11)14(21)19(8)9(2)13(20)16-15-18-17-10(3)22-15/h4-7,9H,1H2,2-3H3,(H,16,18,20)/t9-/m1/s1
InChIKeyNEHTYAUNYCXRGJ-SECBINFHSA-N
MW314.37 g/mol
LogP2.30
Rot. Bonds3

About (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 94017800) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID94017800
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H14N4O2S/c1-8-11-6-4-5-7-12(11)14(21)19(8)9(2)13(20)16-15-18-17-10(3)22-15/h4-7,9H,1H2,2-3H3,(H,16,18,20)/t9-/m1/s1
InChIKeyNEHTYAUNYCXRGJ-SECBINFHSA-N
XLogP2.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
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methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
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2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
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(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
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2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
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(2R)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 94017800) is (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nnc(C)s1.
What is the InChIKey of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is NEHTYAUNYCXRGJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-11-6-4-5-7-12(11)14(21)19(8)9(2)13(20)16-15-18-17-10(3)22-15/h4-7,9H,1H2,2-3H3,(H,16,18,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 94017800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).