N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine

C10H19N3S2 — CID 133490988

IUPACN-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCN(C)c1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S2/c1-8(2)7-9-11-10(15-12-9)13(3)5-6-14-4/h8H,5-7H2,1-4H3
InChIKeyAIOBMIOYAPQKNC-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.54
Rot. Bonds6

About N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133490988) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133490988
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC NameN-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCN(C)c1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3S2/c1-8(2)7-9-11-10(15-12-9)13(3)5-6-14-4/h8H,5-7H2,1-4H3
InChIKeyAIOBMIOYAPQKNC-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133484676
N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 133485309
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 115987930
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 65272261
N-butyl-3-(methoxymethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 99813251
N'-(3-benzyl-1,2,4-thiadiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 66879400
N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine
CID 66878742
2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
CID 133484868
2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82406037
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65273071
N-(5-chloropentyl)-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 107205342

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine (CID 133490988) is N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine is CSCCN(C)c1nc(CC(C)C)ns1.
What is the InChIKey of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AIOBMIOYAPQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-8(2)7-9-11-10(15-12-9)13(3)5-6-14-4/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropyl)-N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133490988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).