5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole

C24H24N4O2S5 — CID 2123342

IUPAC5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole
SMILESCOc1ccc(C2=NC[C@H](CSc3nnc(SC[C@@H]4CN=C(c5ccc(OC)cc5)S4)s3)S2)cc1
InChIInChI=1S/C24H24N4O2S5/c1-29-17-7-3-15(4-8-17)21-25-11-19(33-21)13-31-23-27-28-24(35-23)32-14-20-12-26-22(34-20)16-5-9-18(30-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3/t19-,20+
InChIKeyYUCTUBGQZFLKGV-BGYRXZFFSA-N
MW560.82 g/mol
LogP5.86
Rot. Bonds10

About 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole

5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 2123342) has the molecular formula C24H24N4O2S5 and a molecular weight of 560.82 g/mol. Its IUPAC name is 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole
PubChem CID2123342
Molecular FormulaC24H24N4O2S5
Molecular Weight560.82 g/mol
Exact Mass560.05
IUPAC Name5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole
SMILESCOc1ccc(C2=NC[C@H](CSc3nnc(SC[C@@H]4CN=C(c5ccc(OC)cc5)S4)s3)S2)cc1
InChIInChI=1S/C24H24N4O2S5/c1-29-17-7-3-15(4-8-17)21-25-11-19(33-21)13-31-23-27-28-24(35-23)32-14-20-12-26-22(34-20)16-5-9-18(30-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3/t19-,20+
InChIKeyYUCTUBGQZFLKGV-BGYRXZFFSA-N
XLogP5.86
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500560.82
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole (CID 2123342) is 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole is COc1ccc(C2=NC[C@H](CSc3nnc(SC[C@@H]4CN=C(c5ccc(OC)cc5)S4)s3)S2)cc1.
What is the InChIKey of 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is YUCTUBGQZFLKGV-BGYRXZFFSA-N. The full InChI is InChI=1S/C24H24N4O2S5/c1-29-17-7-3-15(4-8-17)21-25-11-19(33-21)13-31-23-27-28-24(35-23)32-14-20-12-26-22(34-20)16-5-9-18(30-2)10-6-16/h3-10,19-20H,11-14H2,1-2H3/t19-,20+.
What are the key properties of 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole?
5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 560.82 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5R)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-2-[[(5S)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 2123342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).