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

C8H15N3S — CID 105082987

IUPACN,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESCNC(CC(C)C)c1cnsn1
InChIInChI=1S/C8H15N3S/c1-6(2)4-7(9-3)8-5-10-12-11-8/h5-7,9H,4H2,1-3H3
InChIKeyOIFTXNPTIZQUKP-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.84
Rot. Bonds4

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

N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (PubChem CID 105082987) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
PubChem CID105082987
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESCNC(CC(C)C)c1cnsn1
InChIInChI=1S/C8H15N3S/c1-6(2)4-7(9-3)8-5-10-12-11-8/h5-7,9H,4H2,1-3H3
InChIKeyOIFTXNPTIZQUKP-UHFFFAOYSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816
N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105163885
5,5,5-trifluoro-N-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105174275
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105171443
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105087401
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 102622751
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103043497
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (CID 105082987) is N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is CNC(CC(C)C)c1cnsn1.
What is the InChIKey of N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The InChIKey is OIFTXNPTIZQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)4-7(9-3)8-5-10-12-11-8/h5-7,9H,4H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine has a molecular weight of 185.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 105082987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).