N-hexadecyl-1,3-thiazol-2-amine

C19H36N2S — CID 567903

IUPACN-hexadecyl-1,3-thiazol-2-amine
SMILESCCCCCCCCCCCCCCCCNc1nccs1
InChIInChI=1S/C19H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22-19/h17-18H,2-16H2,1H3,(H,20,21)
InChIKeyVZQUSGRAFQFGFE-UHFFFAOYSA-N
MW324.58 g/mol
LogP7.04
Rot. Bonds16

About N-hexadecyl-1,3-thiazol-2-amine

N-hexadecyl-1,3-thiazol-2-amine (PubChem CID 567903) has the molecular formula C19H36N2S and a molecular weight of 324.58 g/mol. Its IUPAC name is N-hexadecyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-hexadecyl-1,3-thiazol-2-amine
PubChem CID567903
Molecular FormulaC19H36N2S
Molecular Weight324.58 g/mol
Exact Mass324.26
IUPAC NameN-hexadecyl-1,3-thiazol-2-amine
SMILESCCCCCCCCCCCCCCCCNc1nccs1
InChIInChI=1S/C19H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22-19/h17-18H,2-16H2,1H3,(H,20,21)
InChIKeyVZQUSGRAFQFGFE-UHFFFAOYSA-N
XLogP7.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 57.04
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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Related Compounds

1-((R)-1-Cyclohexyl-ethyl)-3-thiazol-2-yl-thiourea
CID 3002367
1-((S)-1-Cyclohexyl-ethyl)-3-thiazol-2-yl-thiourea
CID 3002362
Cyclohexyl-thiazol-2-yl-amine
CID 842041
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
N-cyclopropyl-1,3-thiazol-2-amine
CID 28517512
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(2-Cyclohexylethyl)-3-thiazol-2-yl-thiourea
CID 3001256
1-((R)-2-Cyclohexyl-propyl)-3-thiazol-2-yl-thiourea
CID 3008853
1-((S)-2-Cyclohexyl-propyl)-3-thiazol-2-yl-thiourea
CID 3008854
N-(1-Methylethyl)-2-thiazolamine
CID 2160964
N,N-diethylethanamine; thiazol-2-ylcarbamodithioic acid
CID 21453297

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-1,3-thiazol-2-amine?
The IUPAC name of N-hexadecyl-1,3-thiazol-2-amine (CID 567903) is N-hexadecyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-hexadecyl-1,3-thiazol-2-amine?
The canonical SMILES for N-hexadecyl-1,3-thiazol-2-amine is CCCCCCCCCCCCCCCCNc1nccs1.
What is the InChIKey of N-hexadecyl-1,3-thiazol-2-amine?
The InChIKey is VZQUSGRAFQFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22-19/h17-18H,2-16H2,1H3,(H,20,21).
What are the key properties of N-hexadecyl-1,3-thiazol-2-amine?
N-hexadecyl-1,3-thiazol-2-amine has a molecular weight of 324.58 g/mol, XLogP of 7.04, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-1,3-thiazol-2-amine is sourced from PubChem (CID 567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).