5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C14H28N4S — CID 107871071

IUPAC5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C14H28N4S/c1-11(2)6-8-18(9-7-12(3)4)10-13-16-17-14(15-5)19-13/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyNJIFVNRFDYUYOM-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.47
Rot. Bonds9

About 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107871071) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107871071
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC Name5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C14H28N4S/c1-11(2)6-8-18(9-7-12(3)4)10-13-16-17-14(15-5)19-13/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyNJIFVNRFDYUYOM-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[bis(3-methylbutyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 107871076
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
CID 104554429
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
CID 80606201
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 80614069
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
5-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607260
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 105416959
N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608408
5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80614571

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 107871071) is 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(CCC(C)C)CCC(C)C)s1.
What is the InChIKey of 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NJIFVNRFDYUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-11(2)6-8-18(9-7-12(3)4)10-13-16-17-14(15-5)19-13/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.47 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107871071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).