N-decyl-2-methyl-1,3-thiazol-4-amine

C14H26N2S — CID 150937777

IUPACN-decyl-2-methyl-1,3-thiazol-4-amine
SMILESCCCCCCCCCCNc1csc(C)n1
InChIInChI=1S/C14H26N2S/c1-3-4-5-6-7-8-9-10-11-15-14-12-17-13(2)16-14/h12,15H,3-11H2,1-2H3
InChIKeyLHJZDCQDQSMKDY-UHFFFAOYSA-N
MW254.44 g/mol
LogP5.00
Rot. Bonds10

About N-decyl-2-methyl-1,3-thiazol-4-amine

N-decyl-2-methyl-1,3-thiazol-4-amine (PubChem CID 150937777) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-decyl-2-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-decyl-2-methyl-1,3-thiazol-4-amine
PubChem CID150937777
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-decyl-2-methyl-1,3-thiazol-4-amine
SMILESCCCCCCCCCCNc1csc(C)n1
InChIInChI=1S/C14H26N2S/c1-3-4-5-6-7-8-9-10-11-15-14-12-17-13(2)16-14/h12,15H,3-11H2,1-2H3
InChIKeyLHJZDCQDQSMKDY-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-decyl-2-methyl-1,3-thiazol-4-amine?
The IUPAC name of N-decyl-2-methyl-1,3-thiazol-4-amine (CID 150937777) is N-decyl-2-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for N-decyl-2-methyl-1,3-thiazol-4-amine?
The canonical SMILES for N-decyl-2-methyl-1,3-thiazol-4-amine is CCCCCCCCCCNc1csc(C)n1.
What is the InChIKey of N-decyl-2-methyl-1,3-thiazol-4-amine?
The InChIKey is LHJZDCQDQSMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-3-4-5-6-7-8-9-10-11-15-14-12-17-13(2)16-14/h12,15H,3-11H2,1-2H3.
What are the key properties of N-decyl-2-methyl-1,3-thiazol-4-amine?
N-decyl-2-methyl-1,3-thiazol-4-amine has a molecular weight of 254.44 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 150937777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).