N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide

C15H20N4O2S — CID 3212786

IUPACN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCC(=O)N(CCOC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H20N4O2S/c1-3-4-7-13(20)19(9-10-21-2)15-18-17-14(22-15)12-6-5-8-16-11-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyPUDNWDUASKCFAL-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.77
Rot. Bonds8

About N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide

N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 3212786) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID3212786
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCCC(=O)N(CCOC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H20N4O2S/c1-3-4-7-13(20)19(9-10-21-2)15-18-17-14(22-15)12-6-5-8-16-11-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3
InChIKeyPUDNWDUASKCFAL-UHFFFAOYSA-N
XLogP2.77
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 3212786) is N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide is CCCCC(=O)N(CCOC)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is PUDNWDUASKCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-4-7-13(20)19(9-10-21-2)15-18-17-14(22-15)12-6-5-8-16-11-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 320.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 3212786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).