4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

C12H24N4S — CID 63966703

IUPAC4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)(C)CC
InChIInChI=1S/C12H24N4S/c1-6-8-13-11-10(14-15-17-11)9-16(5)12(3,4)7-2/h13H,6-9H2,1-5H3
InChIKeyDEOPSJXYWOURAF-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds7

About 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 63966703) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID63966703
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)(C)CC
InChIInChI=1S/C12H24N4S/c1-6-8-13-11-10(14-15-17-11)9-16(5)12(3,4)7-2/h13H,6-9H2,1-5H3
InChIKeyDEOPSJXYWOURAF-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63983809
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62181934
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 62183362
N-ethyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62209620
4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184460
2-[cyanomethyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetonitrile
CID 55046735
4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182376
4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046617
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
CID 114953247
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (CID 63966703) is 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)C(C)(C)CC.
What is the InChIKey of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is DEOPSJXYWOURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-6-8-13-11-10(14-15-17-11)9-16(5)12(3,4)7-2/h13H,6-9H2,1-5H3.
What are the key properties of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 256.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 63966703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).