(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C20H19N5OS2 — CID 7825113

IUPAC(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)s2)c(C)c1
InChIInChI=1S/C20H19N5OS2/c1-12-4-9-17(13(2)10-12)23-19-24-25-20(28-19)27-14(3)18(26)22-16-7-5-15(11-21)6-8-16/h4-10,14H,1-3H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyYDQDEMQGXHEMLC-CQSZACIVSA-N
MW409.54 g/mol
LogP4.89
Rot. Bonds6

About (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7825113) has the molecular formula C20H19N5OS2 and a molecular weight of 409.54 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID7825113
Molecular FormulaC20H19N5OS2
Molecular Weight409.54 g/mol
Exact Mass409.10
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)s2)c(C)c1
InChIInChI=1S/C20H19N5OS2/c1-12-4-9-17(13(2)10-12)23-19-24-25-20(28-19)27-14(3)18(26)22-16-7-5-15(11-21)6-8-16/h4-10,14H,1-3H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyYDQDEMQGXHEMLC-CQSZACIVSA-N
XLogP4.89
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide 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

(2S)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 2106088
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 4603468
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7825129
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 17427781
(2S)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 7753997
(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972288
(2R)-N-(4-ethylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7753940
(2R)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 40705234
(2R)-N-(3-cyanophenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7857471
(2R)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 2433012
N-(4-cyanophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16554861
N-(4-acetylphenyl)-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 42963425

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 7825113) is (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)s2)c(C)c1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is YDQDEMQGXHEMLC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N5OS2/c1-12-4-9-17(13(2)10-12)23-19-24-25-20(28-19)27-14(3)18(26)22-16-7-5-15(11-21)6-8-16/h4-10,14H,1-3H3,(H,22,26)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 409.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7825113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).