N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine

C10H19N3S — CID 105168600

IUPACN,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESCCNC(c1cnsn1)C(CC)CC
InChIInChI=1S/C10H19N3S/c1-4-8(5-2)10(11-6-3)9-7-12-14-13-9/h7-8,10-11H,4-6H2,1-3H3
InChIKeyNJUVOUFTPYSXAM-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.62
Rot. Bonds6

About N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine

N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (PubChem CID 105168600) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
PubChem CID105168600
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESCCNC(c1cnsn1)C(CC)CC
InChIInChI=1S/C10H19N3S/c1-4-8(5-2)10(11-6-3)9-7-12-14-13-9/h7-8,10-11H,4-6H2,1-3H3
InChIKeyNJUVOUFTPYSXAM-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105143439
N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105145630
1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105125486
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105167206
3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (CID 105168600) is N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is CCNC(c1cnsn1)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The InChIKey is NJUVOUFTPYSXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-8(5-2)10(11-6-3)9-7-12-14-13-9/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 105168600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).