4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C14H16N4O2S3 — CID 35696308

IUPAC4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nnc(SCc2c(C)noc2C)s1
InChIInChI=1S/C14H16N4O2S3/c1-7-11(9(3)19-17-7)5-21-13-15-16-14(23-13)22-6-12-8(2)18-20-10(12)4/h5-6H2,1-4H3
InChIKeyXTVJNWBUSYWKJB-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.33
Rot. Bonds6

About 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 35696308) has the molecular formula C14H16N4O2S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID35696308
Molecular FormulaC14H16N4O2S3
Molecular Weight368.51 g/mol
Exact Mass368.04
IUPAC Name4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nnc(SCc2c(C)noc2C)s1
InChIInChI=1S/C14H16N4O2S3/c1-7-11(9(3)19-17-7)5-21-13-15-16-14(23-13)22-6-12-8(2)18-20-10(12)4/h5-6H2,1-4H3
InChIKeyXTVJNWBUSYWKJB-UHFFFAOYSA-N
XLogP4.33
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

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4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
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4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
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CID 106678730
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313190
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
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2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
4-[(3-bromo-2-pyridinyl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 119041880
N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2413997
2-(3-chloro-1-benzothiophen-2-yl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 35696308) is 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSc1nnc(SCc2c(C)noc2C)s1.
What is the InChIKey of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XTVJNWBUSYWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S3/c1-7-11(9(3)19-17-7)5-21-13-15-16-14(23-13)22-6-12-8(2)18-20-10(12)4/h5-6H2,1-4H3.
What are the key properties of 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 368.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 35696308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).