2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

C15H15N3S4 — CID 46083532

IUPAC2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SCc2csc(Cc3ccc(C)cc3)n2)s1
InChIInChI=1S/C15H15N3S4/c1-10-3-5-11(6-4-10)7-13-16-12(8-20-13)9-21-15-18-17-14(19-2)22-15/h3-6,8H,7,9H2,1-2H3
InChIKeyWJKBCPKHRATSPK-UHFFFAOYSA-N
MW365.57 g/mol
LogP4.91
Rot. Bonds6

About 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 46083532) has the molecular formula C15H15N3S4 and a molecular weight of 365.57 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID46083532
Molecular FormulaC15H15N3S4
Molecular Weight365.57 g/mol
Exact Mass365.01
IUPAC Name2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SCc2csc(Cc3ccc(C)cc3)n2)s1
InChIInChI=1S/C15H15N3S4/c1-10-3-5-11(6-4-10)7-13-16-12(8-20-13)9-21-15-18-17-14(19-2)22-15/h3-6,8H,7,9H2,1-2H3
InChIKeyWJKBCPKHRATSPK-UHFFFAOYSA-N
XLogP4.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole with MolForge

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Related Compounds

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CID 2739454
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CID 2744417
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CID 101069938
CID 101069938
CID 2346006
CID 2346006
CID 2744015
CID 2744015
CID 605121
CID 605121
CID 2991085
CID 2991085
CID 46083246
CID 46083246
CID 24977523
CID 24977523
CID 68337736
CID 68337736

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole (CID 46083532) is 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(SCc2csc(Cc3ccc(C)cc3)n2)s1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is WJKBCPKHRATSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S4/c1-10-3-5-11(6-4-10)7-13-16-12(8-20-13)9-21-15-18-17-14(19-2)22-15/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 365.57 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 46083532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).