N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C10H19N3S — CID 114877355

IUPACN-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(CC(C)CC)s1
InChIInChI=1S/C10H19N3S/c1-4-8(3)6-9-12-13-10(14-9)7-11-5-2/h8,11H,4-7H2,1-3H3
InChIKeyIJXGENKQPAHJDW-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.24
Rot. Bonds6

About N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 114877355) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID114877355
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(CC(C)CC)s1
InChIInChI=1S/C10H19N3S/c1-4-8(3)6-9-12-13-10(14-9)7-11-5-2/h8,11H,4-7H2,1-3H3
InChIKeyIJXGENKQPAHJDW-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877363
N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 114877382
2-(3-chloropropyl)-5-(2-methylbutyl)-1,3,4-thiadiazole
CID 114877322
2,5-bis(2-ethylbutyl)-1,3,4-thiadiazole
CID 123339641
N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 83135373
N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 103167285
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 102723138
N-[(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114354697
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623914

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 114877355) is N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(CC(C)CC)s1.
What is the InChIKey of N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is IJXGENKQPAHJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-8(3)6-9-12-13-10(14-9)7-11-5-2/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 213.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 114877355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).