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

C24H36N4S3 — CID 163668717

IUPAC5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole
SMILESCc1cc(C(C)(C)CC(C)c2nc(C(C)(C)CC(C)c3cnc(C(C)C)s3)ns2)ns1
InChIInChI=1S/C24H36N4S3/c1-14(2)20-25-13-18(29-20)15(3)11-24(8,9)22-26-21(31-28-22)16(4)12-23(6,7)19-10-17(5)30-27-19/h10,13-16H,11-12H2,1-9H3
InChIKeyJARGEDZJRUVZQU-UHFFFAOYSA-N
MW476.78 g/mol
LogP7.83
Rot. Bonds9

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

5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole (PubChem CID 163668717) has the molecular formula C24H36N4S3 and a molecular weight of 476.78 g/mol. Its IUPAC name is 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole
PubChem CID163668717
Molecular FormulaC24H36N4S3
Molecular Weight476.78 g/mol
Exact Mass476.21
IUPAC Name5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole
SMILESCc1cc(C(C)(C)CC(C)c2nc(C(C)(C)CC(C)c3cnc(C(C)C)s3)ns2)ns1
InChIInChI=1S/C24H36N4S3/c1-14(2)20-25-13-18(29-20)15(3)11-24(8,9)22-26-21(31-28-22)16(4)12-23(6,7)19-10-17(5)30-27-19/h10,13-16H,11-12H2,1-9H3
InChIKeyJARGEDZJRUVZQU-UHFFFAOYSA-N
XLogP7.83
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.78
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole (CID 163668717) is 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole is Cc1cc(C(C)(C)CC(C)c2nc(C(C)(C)CC(C)c3cnc(C(C)C)s3)ns2)ns1.
What is the InChIKey of 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole?
The InChIKey is JARGEDZJRUVZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4S3/c1-14(2)20-25-13-18(29-20)15(3)11-24(8,9)22-26-21(31-28-22)16(4)12-23(6,7)19-10-17(5)30-27-19/h10,13-16H,11-12H2,1-9H3.
What are the key properties of 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole?
5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole has a molecular weight of 476.78 g/mol, XLogP of 7.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-4-(5-methyl-1,2-thiazol-3-yl)pentan-2-yl]-3-[2-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)pentan-2-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 163668717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).