2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole

C13H13N5S4 — CID 2227390

IUPAC2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(SCc2cccc(CSc3nnc(C)s3)n2)s1
InChIInChI=1S/C13H13N5S4/c1-8-15-17-12(21-8)19-6-10-4-3-5-11(14-10)7-20-13-18-16-9(2)22-13/h3-5H,6-7H2,1-2H3
InChIKeyYCOMPOVVDQUWCO-UHFFFAOYSA-N
MW367.55 g/mol
LogP3.99
Rot. Bonds6

About 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole

2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 2227390) has the molecular formula C13H13N5S4 and a molecular weight of 367.55 g/mol. Its IUPAC name is 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
PubChem CID2227390
Molecular FormulaC13H13N5S4
Molecular Weight367.55 g/mol
Exact Mass367.01
IUPAC Name2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(SCc2cccc(CSc3nnc(C)s3)n2)s1
InChIInChI=1S/C13H13N5S4/c1-8-15-17-12(21-8)19-6-10-4-3-5-11(14-10)7-20-13-18-16-9(2)22-13/h3-5H,6-7H2,1-2H3
InChIKeyYCOMPOVVDQUWCO-UHFFFAOYSA-N
XLogP3.99
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
2-[(6-chloro-2-pyridinyl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 79037541
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210410
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47235080
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63881700
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 103886676
5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 119042084
(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647161
5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 119041712
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
CID 107552293
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole (CID 2227390) is 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole is Cc1nnc(SCc2cccc(CSc3nnc(C)s3)n2)s1.
What is the InChIKey of 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is YCOMPOVVDQUWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S4/c1-8-15-17-12(21-8)19-6-10-4-3-5-11(14-10)7-20-13-18-16-9(2)22-13/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole?
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 367.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 2227390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).