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

C9H11N3S4 — CID 84602773

IUPAC2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCCSc1nnc(SCc2csc(C)n2)s1
InChIInChI=1S/C9H11N3S4/c1-3-13-8-11-12-9(16-8)15-5-7-4-14-6(2)10-7/h4H,3,5H2,1-2H3
InChIKeyDUURPWQAFLOHEK-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.71
Rot. Bonds5

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

2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 84602773) has the molecular formula C9H11N3S4 and a molecular weight of 289.48 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID84602773
Molecular FormulaC9H11N3S4
Molecular Weight289.48 g/mol
Exact Mass288.98
IUPAC Name2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCCSc1nnc(SCc2csc(C)n2)s1
InChIInChI=1S/C9H11N3S4/c1-3-13-8-11-12-9(16-8)15-5-7-4-14-6(2)10-7/h4H,3,5H2,1-2H3
InChIKeyDUURPWQAFLOHEK-UHFFFAOYSA-N
XLogP3.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-bis[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 55665665
N-(2-ethyl-6-methylphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 35218209
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299423
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79148477
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2615977
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
2-ethylsulfanyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole
CID 47124469

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 84602773) is 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is CCSc1nnc(SCc2csc(C)n2)s1.
What is the InChIKey of 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is DUURPWQAFLOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S4/c1-3-13-8-11-12-9(16-8)15-5-7-4-14-6(2)10-7/h4H,3,5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 289.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 84602773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).