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

C11H14N4OS2 — CID 70744303

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nnc(CNC(=O)Cc2csc(C)n2)s1
InChIInChI=1S/C11H14N4OS2/c1-3-10-14-15-11(18-10)5-12-9(16)4-8-6-17-7(2)13-8/h6H,3-5H2,1-2H3,(H,12,16)
InChIKeyPPXJTUWWZKTRTH-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.72
Rot. Bonds5

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

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 70744303) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID70744303
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nnc(CNC(=O)Cc2csc(C)n2)s1
InChIInChI=1S/C11H14N4OS2/c1-3-10-14-15-11(18-10)5-12-9(16)4-8-6-17-7(2)13-8/h6H,3-5H2,1-2H3,(H,12,16)
InChIKeyPPXJTUWWZKTRTH-UHFFFAOYSA-N
XLogP1.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940637
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115594716
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 70744303) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCc1nnc(CNC(=O)Cc2csc(C)n2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PPXJTUWWZKTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-3-10-14-15-11(18-10)5-12-9(16)4-8-6-17-7(2)13-8/h6H,3-5H2,1-2H3,(H,12,16).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 70744303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).