2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol

C12H24N4OS — CID 62207728

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
SMILESCCNc1snnc1CN(CCO)C(CC)CC
InChIInChI=1S/C12H24N4OS/c1-4-10(5-2)16(7-8-17)9-11-12(13-6-3)18-15-14-11/h10,13,17H,4-9H2,1-3H3
InChIKeyMCFWNWYKMKECKC-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.95
Rot. Bonds9

About 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol

2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol (PubChem CID 62207728) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
PubChem CID62207728
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
SMILESCCNc1snnc1CN(CCO)C(CC)CC
InChIInChI=1S/C12H24N4OS/c1-4-10(5-2)16(7-8-17)9-11-12(13-6-3)18-15-14-11/h10,13,17H,4-9H2,1-3H3
InChIKeyMCFWNWYKMKECKC-UHFFFAOYSA-N
XLogP1.95
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol (CID 62207728) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol is CCNc1snnc1CN(CCO)C(CC)CC.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol?
The InChIKey is MCFWNWYKMKECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-4-10(5-2)16(7-8-17)9-11-12(13-6-3)18-15-14-11/h10,13,17H,4-9H2,1-3H3.
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol has a molecular weight of 272.42 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62207728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).