2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole

C14H17N5S2 — CID 131990544

IUPAC2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole
SMILESCc1cnc(CCc2cnc(CCc3nnc(C)s3)s2)[nH]1
InChIInChI=1S/C14H17N5S2/c1-9-7-15-12(17-9)4-3-11-8-16-13(21-11)5-6-14-19-18-10(2)20-14/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyNVFGCEHVFVPZGV-UHFFFAOYSA-N
MW319.46 g/mol
LogP2.90
Rot. Bonds6

About 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole

2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole (PubChem CID 131990544) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole
PubChem CID131990544
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole
SMILESCc1cnc(CCc2cnc(CCc3nnc(C)s3)s2)[nH]1
InChIInChI=1S/C14H17N5S2/c1-9-7-15-12(17-9)4-3-11-8-16-13(21-11)5-6-14-19-18-10(2)20-14/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyNVFGCEHVFVPZGV-UHFFFAOYSA-N
XLogP2.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole (CID 131990544) is 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole is Cc1cnc(CCc2cnc(CCc3nnc(C)s3)s2)[nH]1.
What is the InChIKey of 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole?
The InChIKey is NVFGCEHVFVPZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-9-7-15-12(17-9)4-3-11-8-16-13(21-11)5-6-14-19-18-10(2)20-14/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole?
2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole has a molecular weight of 319.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 131990544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).