2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine

C16H30N4S — CID 43130147

IUPAC2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H30N4S/c1-3-4-5-6-7-16(2,14-17)20-11-9-19(10-12-20)15-18-8-13-21-15/h8,13H,3-7,9-12,14,17H2,1-2H3
InChIKeyDLRKYZCBOMVHHN-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.95
Rot. Bonds8

About 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine

2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine (PubChem CID 43130147) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine
PubChem CID43130147
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H30N4S/c1-3-4-5-6-7-16(2,14-17)20-11-9-19(10-12-20)15-18-8-13-21-15/h8,13H,3-7,9-12,14,17H2,1-2H3
InChIKeyDLRKYZCBOMVHHN-UHFFFAOYSA-N
XLogP2.95
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine?
The IUPAC name of 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine (CID 43130147) is 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine is CCCCCCC(C)(CN)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine?
The InChIKey is DLRKYZCBOMVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-3-4-5-6-7-16(2,14-17)20-11-9-19(10-12-20)15-18-8-13-21-15/h8,13H,3-7,9-12,14,17H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine?
2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]octan-1-amine is sourced from PubChem (CID 43130147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).