N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine

C16H22ClN5S — CID 133320629

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H22ClN5S/c1-13-19-16(23-20-13)18-6-3-7-21-8-10-22(11-9-21)15-5-2-4-14(17)12-15/h2,4-5,12H,3,6-11H2,1H3,(H,18,19,20)
InChIKeyLXVVFYDHAFLXPD-UHFFFAOYSA-N
MW351.91 g/mol
LogP3.12
Rot. Bonds6

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133320629) has the molecular formula C16H22ClN5S and a molecular weight of 351.91 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133320629
Molecular FormulaC16H22ClN5S
Molecular Weight351.91 g/mol
Exact Mass351.13
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H22ClN5S/c1-13-19-16(23-20-13)18-6-3-7-21-8-10-22(11-9-21)15-5-2-4-14(17)12-15/h2,4-5,12H,3,6-11H2,1H3,(H,18,19,20)
InChIKeyLXVVFYDHAFLXPD-UHFFFAOYSA-N
XLogP3.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.91
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
CID 118259497
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 119125309
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383624
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 119126175

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133320629) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCN2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LXVVFYDHAFLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5S/c1-13-19-16(23-20-13)18-6-3-7-21-8-10-22(11-9-21)15-5-2-4-14(17)12-15/h2,4-5,12H,3,6-11H2,1H3,(H,18,19,20).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 351.91 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133320629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).