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

C14H25N3S — CID 106829297

IUPACN-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C2(C)CCCCC2)s1
InChIInChI=1S/C14H25N3S/c1-3-10-15-11-7-12-16-17-13(18-12)14(2)8-5-4-6-9-14/h15H,3-11H2,1-2H3
InChIKeyOHNBESVXRDNQKA-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.30
Rot. Bonds6

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

N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 106829297) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
PubChem CID106829297
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C2(C)CCCCC2)s1
InChIInChI=1S/C14H25N3S/c1-3-10-15-11-7-12-16-17-13(18-12)14(2)8-5-4-6-9-14/h15H,3-11H2,1-2H3
InChIKeyOHNBESVXRDNQKA-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-methylthiolan-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81451493
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole
CID 106828930
2-(1-bromopropyl)-5-(1-methylcyclohexyl)-1,3,4-thiadiazole
CID 106829272
2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole
CID 115039271
N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103022781
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103213374
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434
N-[[5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103558524
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65304934

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (CID 106829297) is N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(C2(C)CCCCC2)s1.
What is the InChIKey of N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is OHNBESVXRDNQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-10-15-11-7-12-16-17-13(18-12)14(2)8-5-4-6-9-14/h15H,3-11H2,1-2H3.
What are the key properties of N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106829297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).