5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 107648001

IUPAC5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCC(C)Nc1nnc(CC)s1
InChIInChI=1S/C10H19N3S/c1-4-6-7-8(3)11-10-13-12-9(5-2)14-10/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyAIJJINXJENWBCJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.09
Rot. Bonds6

About 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine

5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 107648001) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID107648001
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCC(C)Nc1nnc(CC)s1
InChIInChI=1S/C10H19N3S/c1-4-6-7-8(3)11-10-13-12-9(5-2)14-10/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyAIJJINXJENWBCJ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 107648177
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647778
N-[1-(4-bromophenyl)propan-2-yl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 114081271
5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 107647638
N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647936
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
5-methyl-N-octan-4-yl-1,3,4-thiadiazol-2-amine
CID 103729148
(3S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 133451823
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
N-hexan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304897
5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648050

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine (CID 107648001) is 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine is CCCCC(C)Nc1nnc(CC)s1.
What is the InChIKey of 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is AIJJINXJENWBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-6-7-8(3)11-10-13-12-9(5-2)14-10/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine?
5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).