(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

C20H23N5OS2 — CID 1266903

IUPAC(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
SMILESCCC(Sc1nc(C)cc(C)n1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1
InChIInChI=1S/C20H23N5OS2/c1-5-17(28-19-21-13(3)10-14(4)22-19)18(26)23-20-25-24-16(11-27-20)15-8-6-12(2)7-9-15/h6-10,17H,5,11H2,1-4H3,(H,23,25,26)
InChIKeyPRRJBECXVCLEDL-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.90
Rot. Bonds5

About (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide (PubChem CID 1266903) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
PubChem CID1266903
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
SMILESCCC(Sc1nc(C)cc(C)n1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1
InChIInChI=1S/C20H23N5OS2/c1-5-17(28-19-21-13(3)10-14(4)22-19)18(26)23-20-25-24-16(11-27-20)15-8-6-12(2)7-9-15/h6-10,17H,5,11H2,1-4H3,(H,23,25,26)
InChIKeyPRRJBECXVCLEDL-UHFFFAOYSA-N
XLogP3.90
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide 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

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-[(4-tert-butylbenzyl)sulfanyl]pyrimidin-4-amine
CID 46889012
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
CID 6861951
1-[2-[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 649304
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325
N-(tert-butyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]ace tamide
CID 1146213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide?
The IUPAC name of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide (CID 1266903) is (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide?
The canonical SMILES for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide is CCC(Sc1nc(C)cc(C)n1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1.
What is the InChIKey of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide?
The InChIKey is PRRJBECXVCLEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-5-17(28-19-21-13(3)10-14(4)22-19)18(26)23-20-25-24-16(11-27-20)15-8-6-12(2)7-9-15/h6-10,17H,5,11H2,1-4H3,(H,23,25,26).
What are the key properties of (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide?
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide has a molecular weight of 413.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide is sourced from PubChem (CID 1266903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).