N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C15H22N4S — CID 65270963

IUPACN'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCC(C)c1nsc(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C15H22N4S/c1-12(2)14-17-15(20-18-14)16-10-7-11-19(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,16,17,18)
InChIKeyIKYXQIZTYRYEMK-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.60
Rot. Bonds7

About N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270963) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270963
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCC(C)c1nsc(NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C15H22N4S/c1-12(2)14-17-15(20-18-14)16-10-7-11-19(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,16,17,18)
InChIKeyIKYXQIZTYRYEMK-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine 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-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-(2,1-benzothiazol-3-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 62815686
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 114268243
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 29068124
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270963) is N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CC(C)c1nsc(NCCCN(C)c2ccccc2)n1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is IKYXQIZTYRYEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12(2)14-17-15(20-18-14)16-10-7-11-19(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,16,17,18).
What are the key properties of N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).