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

C8H9N3S3 — CID 752198

IUPAC2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCc1nc(CSc2nnc(C)s2)cs1
InChIInChI=1S/C8H9N3S3/c1-5-9-7(3-12-5)4-13-8-11-10-6(2)14-8/h3H,4H2,1-2H3
InChIKeyRFKUZOGGDROWRA-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.90
Rot. Bonds3

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

2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 752198) has the molecular formula C8H9N3S3 and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID752198
Molecular FormulaC8H9N3S3
Molecular Weight243.38 g/mol
Exact Mass243.00
IUPAC Name2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCc1nc(CSc2nnc(C)s2)cs1
InChIInChI=1S/C8H9N3S3/c1-5-9-7(3-12-5)4-13-8-11-10-6(2)14-8/h3H,4H2,1-2H3
InChIKeyRFKUZOGGDROWRA-UHFFFAOYSA-N
XLogP2.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[(2-Methyl-1,3-thiazol-4-YL)methyl]thio}-1,3,4-thiadiazol-2-amine
CID 1503584
4-Methyl-2-[2-(4-methyl(1,3-thiazol-2-yl))ethyl]-1,3-thiazole
CID 969581
2-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 2394046
4,4Dimethyl-2,2bithiazolyl
CID 21779250
2-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazole-4-carbonitrile
CID 145897765
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 18708866
4-methyl-2-[(Z)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-1,3-thiazole
CID 134908211
2-Methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
CID 133382067
2-Ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
CID 133382779
2-Methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole
CID 167773941
2-Chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-thiazole
CID 40111421
1,2-Bis(4-methylthiazol-2-yl)disulfane
CID 4067549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 752198) is 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is Cc1nc(CSc2nnc(C)s2)cs1.
What is the InChIKey of 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is RFKUZOGGDROWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S3/c1-5-9-7(3-12-5)4-13-8-11-10-6(2)14-8/h3H,4H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 243.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 752198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).