6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine

C22H26N4S3 — CID 144988160

IUPAC6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine
SMILESCSCCNc1cc(Sc2ccccc2)cc(Nc2nc3c(s2)C(C)(C)CC3)n1
InChIInChI=1S/C22H26N4S3/c1-22(2)10-9-17-20(22)29-21(24-17)26-19-14-16(28-15-7-5-4-6-8-15)13-18(25-19)23-11-12-27-3/h4-8,13-14H,9-12H2,1-3H3,(H2,23,24,25,26)
InChIKeySOYPGXJILVXITO-UHFFFAOYSA-N
MW442.68 g/mol
LogP6.43
Rot. Bonds8

About 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine

6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine (PubChem CID 144988160) has the molecular formula C22H26N4S3 and a molecular weight of 442.68 g/mol. Its IUPAC name is 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine
PubChem CID144988160
Molecular FormulaC22H26N4S3
Molecular Weight442.68 g/mol
Exact Mass442.13
IUPAC Name6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine
SMILESCSCCNc1cc(Sc2ccccc2)cc(Nc2nc3c(s2)C(C)(C)CC3)n1
InChIInChI=1S/C22H26N4S3/c1-22(2)10-9-17-20(22)29-21(24-17)26-19-14-16(28-15-7-5-4-6-8-15)13-18(25-19)23-11-12-27-3/h4-8,13-14H,9-12H2,1-3H3,(H2,23,24,25,26)
InChIKeySOYPGXJILVXITO-UHFFFAOYSA-N
XLogP6.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine with MolForge

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Related Compounds

2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine
CID 144988041
N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;propylcyclohexane
CID 144988118
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 80839882
N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane
CID 144988240
1-chloro-N-(2-methylsulfanylethyl)isoquinolin-3-amine
CID 133391738
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
3-[[4-(benzenesulfinyl)-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]amino]propan-1-ol
CID 118642030
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141

Frequently Asked Questions

What is the IUPAC name of 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine?
The IUPAC name of 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine (CID 144988160) is 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine is CSCCNc1cc(Sc2ccccc2)cc(Nc2nc3c(s2)C(C)(C)CC3)n1.
What is the InChIKey of 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine?
The InChIKey is SOYPGXJILVXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S3/c1-22(2)10-9-17-20(22)29-21(24-17)26-19-14-16(28-15-7-5-4-6-8-15)13-18(25-19)23-11-12-27-3/h4-8,13-14H,9-12H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine?
6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine has a molecular weight of 442.68 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(6,6-dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-N-(2-methylsulfanylethyl)-4-phenylsulfanylpyridine-2,6-diamine is sourced from PubChem (CID 144988160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).