3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine

C10H19N3S — CID 63842588

IUPAC3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCc1csnn1
InChIInChI=1S/C10H19N3S/c1-4-9(5-2)8(3)11-6-10-7-14-13-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyCYEWBWRNPMQDNW-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.45
Rot. Bonds6

About 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine

3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine (PubChem CID 63842588) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
PubChem CID63842588
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCc1csnn1
InChIInChI=1S/C10H19N3S/c1-4-9(5-2)8(3)11-6-10-7-14-13-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyCYEWBWRNPMQDNW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 115907695
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 103924393
N-(thiadiazol-4-ylmethyl)hexan-2-amine
CID 62200952
N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 61464284
(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 93257833
N-ethyl-N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 103108067
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine (CID 63842588) is 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine is CCC(CC)C(C)NCc1csnn1.
What is the InChIKey of 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The InChIKey is CYEWBWRNPMQDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-9(5-2)8(3)11-6-10-7-14-13-12-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 63842588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).