[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C14H14ClN3O3S2 — CID 168673489

IUPAC[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1cccc(-c2nnc(N3CC(CS(=O)(=O)Cl)CC3=O)s2)c1
InChIInChI=1S/C14H14ClN3O3S2/c1-9-3-2-4-11(5-9)13-16-17-14(22-13)18-7-10(6-12(18)19)8-23(15,20)21/h2-5,10H,6-8H2,1H3
InChIKeyOYQWQEXGEVHSSE-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.44
Rot. Bonds4

About [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673489) has the molecular formula C14H14ClN3O3S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673489
Molecular FormulaC14H14ClN3O3S2
Molecular Weight371.87 g/mol
Exact Mass371.02
IUPAC Name[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1cccc(-c2nnc(N3CC(CS(=O)(=O)Cl)CC3=O)s2)c1
InChIInChI=1S/C14H14ClN3O3S2/c1-9-3-2-4-11(5-9)13-16-17-14(22-13)18-7-10(6-12(18)19)8-23(15,20)21/h2-5,10H,6-8H2,1H3
InChIKeyOYQWQEXGEVHSSE-UHFFFAOYSA-N
XLogP2.44
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673567
[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677915
S-[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705746
[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672891
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300
[1-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674605
[5-oxo-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672780
4-(chloromethyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168509727
[1-(2-iodo-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673308
[1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673487
[1-[4-(4-methylphenoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673318
[1-(6-fluoro-1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674541

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673489) is [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is Cc1cccc(-c2nnc(N3CC(CS(=O)(=O)Cl)CC3=O)s2)c1.
What is the InChIKey of [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is OYQWQEXGEVHSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S2/c1-9-3-2-4-11(5-9)13-16-17-14(22-13)18-7-10(6-12(18)19)8-23(15,20)21/h2-5,10H,6-8H2,1H3.
What are the key properties of [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 371.87 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).