N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide

C18H26N4O3S — CID 135217526

IUPACN-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide
SMILESCCCC(CC)Nc1nnc(NC(=O)C(OC)c2ccc(OC)cc2)s1
InChIInChI=1S/C18H26N4O3S/c1-5-7-13(6-2)19-17-21-22-18(26-17)20-16(23)15(25-4)12-8-10-14(24-3)11-9-12/h8-11,13,15H,5-7H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyGRZUFOZUBZCCGN-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.86
Rot. Bonds10

About N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide

N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide (PubChem CID 135217526) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide
PubChem CID135217526
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide
SMILESCCCC(CC)Nc1nnc(NC(=O)C(OC)c2ccc(OC)cc2)s1
InChIInChI=1S/C18H26N4O3S/c1-5-7-13(6-2)19-17-21-22-18(26-17)20-16(23)15(25-4)12-8-10-14(24-3)11-9-12/h8-11,13,15H,5-7H2,1-4H3,(H,19,21)(H,20,22,23)
InChIKeyGRZUFOZUBZCCGN-UHFFFAOYSA-N
XLogP3.86
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide (CID 135217526) is N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide is CCCC(CC)Nc1nnc(NC(=O)C(OC)c2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide?
The InChIKey is GRZUFOZUBZCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-5-7-13(6-2)19-17-21-22-18(26-17)20-16(23)15(25-4)12-8-10-14(24-3)11-9-12/h8-11,13,15H,5-7H2,1-4H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide?
N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hexan-3-ylamino)-1,3,4-thiadiazol-2-yl]-2-methoxy-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 135217526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).