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

C11H15N5OS2 — CID 82547498

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2csc(CN)n2)s1
InChIInChI=1S/C11H15N5OS2/c1-2-3-9-15-16-11(19-9)14-8(17)4-7-6-18-10(5-12)13-7/h6H,2-5,12H2,1H3,(H,14,16,17)
InChIKeyHBGCAHWKEGZIFA-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.59
Rot. Bonds6

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

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 82547498) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID82547498
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2csc(CN)n2)s1
InChIInChI=1S/C11H15N5OS2/c1-2-3-9-15-16-11(19-9)14-8(17)4-7-6-18-10(5-12)13-7/h6H,2-5,12H2,1H3,(H,14,16,17)
InChIKeyHBGCAHWKEGZIFA-UHFFFAOYSA-N
XLogP1.59
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688142
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55645634
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
N-[4-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43057528
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 110451329
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 82547498) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cc2csc(CN)n2)s1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HBGCAHWKEGZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-2-3-9-15-16-11(19-9)14-8(17)4-7-6-18-10(5-12)13-7/h6H,2-5,12H2,1H3,(H,14,16,17).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 82547498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).