N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine

C12H23N3S — CID 104628519

IUPACN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1nnc(C)s1
InChIInChI=1S/C12H23N3S/c1-5-7-8-11(6-2)13-9(3)12-15-14-10(4)16-12/h9,11,13H,5-8H2,1-4H3
InChIKeyCKUSTDVWBBULAW-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.47
Rot. Bonds7

About N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine (PubChem CID 104628519) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine
PubChem CID104628519
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1nnc(C)s1
InChIInChI=1S/C12H23N3S/c1-5-7-8-11(6-2)13-9(3)12-15-14-10(4)16-12/h9,11,13H,5-8H2,1-4H3
InChIKeyCKUSTDVWBBULAW-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-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-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]hept-6-en-3-amine
CID 104628537
5-methyl-N-octan-4-yl-1,3,4-thiadiazol-2-amine
CID 103729148
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]heptan-3-amine
CID 104773457
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 131154139
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624872
N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
CID 63944741
[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
N-[(1S)-1-cyclohexylethyl]heptan-3-amine
CID 81387279
methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
N-nonan-5-ylnonan-5-amine
CID 86205180

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine?
The IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine (CID 104628519) is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine?
The canonical SMILES for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine is CCCCC(CC)NC(C)c1nnc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine?
The InChIKey is CKUSTDVWBBULAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-7-8-11(6-2)13-9(3)12-15-14-10(4)16-12/h9,11,13H,5-8H2,1-4H3.
What are the key properties of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine?
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine has a molecular weight of 241.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 104628519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).