N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

C14H19N3OS3 — CID 50949388

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCCSc1nc(CC(=O)NCc2sc(C)nc2CC)cs1
InChIInChI=1S/C14H19N3OS3/c1-4-11-12(21-9(3)16-11)7-15-13(18)6-10-8-20-14(17-10)19-5-2/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyZSDRWKRDXJLIHF-UHFFFAOYSA-N
MW341.53 g/mol
LogP3.44
Rot. Bonds7

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide (PubChem CID 50949388) has the molecular formula C14H19N3OS3 and a molecular weight of 341.53 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
PubChem CID50949388
Molecular FormulaC14H19N3OS3
Molecular Weight341.53 g/mol
Exact Mass341.07
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCCSc1nc(CC(=O)NCc2sc(C)nc2CC)cs1
InChIInChI=1S/C14H19N3OS3/c1-4-11-12(21-9(3)16-11)7-15-13(18)6-10-8-20-14(17-10)19-5-2/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyZSDRWKRDXJLIHF-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide (CID 50949388) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide is CCSc1nc(CC(=O)NCc2sc(C)nc2CC)cs1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZSDRWKRDXJLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS3/c1-4-11-12(21-9(3)16-11)7-15-13(18)6-10-8-20-14(17-10)19-5-2/h8H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 341.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 50949388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).