2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

C8H8ClN5OS2 — CID 62859238

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCCOc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H8ClN5OS2/c1-3-15-6-10-5(9)11-7(12-6)17-8-14-13-4(2)16-8/h3H2,1-2H3
InChIKeyUQJCRXNFAGQGQP-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.23
Rot. Bonds4

About 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 62859238) has the molecular formula C8H8ClN5OS2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID62859238
Molecular FormulaC8H8ClN5OS2
Molecular Weight289.77 g/mol
Exact Mass288.99
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCCOc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H8ClN5OS2/c1-3-15-6-10-5(9)11-7(12-6)17-8-14-13-4(2)16-8/h3H2,1-2H3
InChIKeyUQJCRXNFAGQGQP-UHFFFAOYSA-N
XLogP2.23
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62867050
2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
CID 65043148
2-chloro-4-(2,5-dimethylphenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859234
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
5-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739069
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 64624757
ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate
CID 80605209
5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737477
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CID 62859238) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is CCOc1nc(Cl)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is UQJCRXNFAGQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5OS2/c1-3-15-6-10-5(9)11-7(12-6)17-8-14-13-4(2)16-8/h3H2,1-2H3.
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 289.77 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 62859238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).