(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile

C15H18N4S2 — CID 9477583

IUPAC(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
SMILESCCc1cccc(C)c1Nc1nnc(SC[C@H](C)C#N)s1
InChIInChI=1S/C15H18N4S2/c1-4-12-7-5-6-11(3)13(12)17-14-18-19-15(21-14)20-9-10(2)8-16/h5-7,10H,4,9H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyIGKLJGWSHGVDNI-SNVBAGLBSA-N
MW318.47 g/mol
LogP4.40
Rot. Bonds6

About (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile

(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile (PubChem CID 9477583) has the molecular formula C15H18N4S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
PubChem CID9477583
Molecular FormulaC15H18N4S2
Molecular Weight318.47 g/mol
Exact Mass318.10
IUPAC Name(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
SMILESCCc1cccc(C)c1Nc1nnc(SC[C@H](C)C#N)s1
InChIInChI=1S/C15H18N4S2/c1-4-12-7-5-6-11(3)13(12)17-14-18-19-15(21-14)20-9-10(2)8-16/h5-7,10H,4,9H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyIGKLJGWSHGVDNI-SNVBAGLBSA-N
XLogP4.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-6-methylphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 35218209
6-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 9477587
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 55443073
(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
CID 9379597
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 41458662
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55846603
2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 2385843
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46639869
2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 2107085
N-(2,6-diethylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4798975
N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide
CID 24527779

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The IUPAC name of (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile (CID 9477583) is (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile.
What is the SMILES notation for (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The canonical SMILES for (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile is CCc1cccc(C)c1Nc1nnc(SC[C@H](C)C#N)s1.
What is the InChIKey of (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The InChIKey is IGKLJGWSHGVDNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4S2/c1-4-12-7-5-6-11(3)13(12)17-14-18-19-15(21-14)20-9-10(2)8-16/h5-7,10H,4,9H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile has a molecular weight of 318.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile is sourced from PubChem (CID 9477583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).