N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine

C12H24N4OS — CID 114268243

IUPACN',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C(C)OC)ns1
InChIInChI=1S/C12H24N4OS/c1-5-16(6-2)9-7-8-13-12-14-11(15-18-12)10(3)17-4/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyRWDKTMWBMFAXJF-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.39
Rot. Bonds9

About N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine

N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine (PubChem CID 114268243) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
PubChem CID114268243
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC NameN',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C(C)OC)ns1
InChIInChI=1S/C12H24N4OS/c1-5-16(6-2)9-7-8-13-12-14-11(15-18-12)10(3)17-4/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyRWDKTMWBMFAXJF-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270963
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114268272
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide
CID 114268329
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 116782306
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine (CID 114268243) is N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine is CCN(CC)CCCNc1nc(C(C)OC)ns1.
What is the InChIKey of N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine?
The InChIKey is RWDKTMWBMFAXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-5-16(6-2)9-7-8-13-12-14-11(15-18-12)10(3)17-4/h10H,5-9H2,1-4H3,(H,13,14,15).
What are the key properties of N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine?
N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine has a molecular weight of 272.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine is sourced from PubChem (CID 114268243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).