N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide

C13H15N3O2S2 — CID 1251582

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
SMILESCOCc1nnc(NC(=O)CCSc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S2/c1-18-9-12-15-16-13(20-12)14-11(17)7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
InChIKeyWHEVHSWGYOGREI-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.81
Rot. Bonds7

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide (PubChem CID 1251582) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
PubChem CID1251582
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
SMILESCOCc1nnc(NC(=O)CCSc2ccccc2)s1
InChIInChI=1S/C13H15N3O2S2/c1-18-9-12-15-16-13(20-12)14-11(17)7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17)
InChIKeyWHEVHSWGYOGREI-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide (CID 1251582) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide is COCc1nnc(NC(=O)CCSc2ccccc2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide?
The InChIKey is WHEVHSWGYOGREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-18-9-12-15-16-13(20-12)14-11(17)7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16,17).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide has a molecular weight of 309.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 1251582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).