N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine

C8H15N3S — CID 65272986

IUPACN-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCC(Cc1nc(C)ns1)NC
InChIInChI=1S/C8H15N3S/c1-4-7(9-3)5-8-10-6(2)11-12-8/h7,9H,4-5H2,1-3H3
InChIKeyHPIATBNPJCNFTI-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine

N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65272986) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65272986
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCC(Cc1nc(C)ns1)NC
InChIInChI=1S/C8H15N3S/c1-4-7(9-3)5-8-10-6(2)11-12-8/h7,9H,4-5H2,1-3H3
InChIKeyHPIATBNPJCNFTI-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102
N-propan-2-yl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964615
3-propyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 105940300
3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,3-diamine
CID 107306291
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,3-diamine
CID 107306293
3-ethyl-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115486622

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65272986) is N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is CCC(Cc1nc(C)ns1)NC.
What is the InChIKey of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is HPIATBNPJCNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-7(9-3)5-8-10-6(2)11-12-8/h7,9H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65272986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).