N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C13H23N3OS2 — CID 103719302

IUPACN-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCCN(CC)CCNC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C13H23N3OS2/c1-4-7-16(5-2)8-6-14-12(17)9-11-10(3)15-13(18)19-11/h4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyYZZGHMAFHSQNIX-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.50
Rot. Bonds8

About N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103719302) has the molecular formula C13H23N3OS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103719302
Molecular FormulaC13H23N3OS2
Molecular Weight301.48 g/mol
Exact Mass301.13
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCCN(CC)CCNC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C13H23N3OS2/c1-4-7-16(5-2)8-6-14-12(17)9-11-10(3)15-13(18)19-11/h4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyYZZGHMAFHSQNIX-UHFFFAOYSA-N
XLogP2.50
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103719302) is N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCCN(CC)CCNC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is YZZGHMAFHSQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS2/c1-4-7-16(5-2)8-6-14-12(17)9-11-10(3)15-13(18)19-11/h4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 301.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103719302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).