2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide

C10H19N5OS — CID 55046372

IUPAC2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nnsc1N
InChIInChI=1S/C10H19N5OS/c1-4-15(6-9(16)12-7(2)3)5-8-10(11)17-14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16)
InChIKeyRFXMDKQUPQGJST-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.47
Rot. Bonds6

About 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 55046372) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID55046372
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nnsc1N
InChIInChI=1S/C10H19N5OS/c1-4-15(6-9(16)12-7(2)3)5-8-10(11)17-14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16)
InChIKeyRFXMDKQUPQGJST-UHFFFAOYSA-N
XLogP0.47
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N~1~-allyl-N~2~-methyl-N~2~-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]glycinamide
CID 91837650
5-amino-N-ethylthiadiazole-4-carboxamide
CID 1499046
2-(((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)(methyl)amino)-N-propylacetamide
CID 24490933
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 24492306
N,N-diethyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 43739495
2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 51225641
2-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 51226312
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 55046085
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 55046086
2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55046095
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 55046096

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 55046372) is 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nnsc1N.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is RFXMDKQUPQGJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-15(6-9(16)12-7(2)3)5-8-10(11)17-14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16).
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 257.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55046372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).