1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine

C12H24N4S — CID 65276800

IUPAC1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCCCc1nsc(NC(C)CN(CC)CC)n1
InChIInChI=1S/C12H24N4S/c1-5-8-11-14-12(17-15-11)13-10(4)9-16(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyHFCBJIGMOYPURG-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.63
Rot. Bonds8

About 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine (PubChem CID 65276800) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
PubChem CID65276800
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCCCc1nsc(NC(C)CN(CC)CC)n1
InChIInChI=1S/C12H24N4S/c1-5-8-11-14-12(17-15-11)13-10(4)9-16(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyHFCBJIGMOYPURG-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801
1-N,1-N-dimethyl-3-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 65276840
5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66280981
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 122050568
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
2-N-(5-bromo-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 64623280
2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 115310912
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine (CID 65276800) is 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine is CCCc1nsc(NC(C)CN(CC)CC)n1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The InChIKey is HFCBJIGMOYPURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-8-11-14-12(17-15-11)13-10(4)9-16(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,14,15).
What are the key properties of 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine has a molecular weight of 256.42 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 65276800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).