N-dec-1-en-4-yl-1,3-thiazol-2-amine

C13H22N2S — CID 4711973

IUPACN-dec-1-en-4-yl-1,3-thiazol-2-amine
SMILESC=CCC(CCCCCC)Nc1nccs1
InChIInChI=1S/C13H22N2S/c1-3-5-6-7-9-12(8-4-2)15-13-14-10-11-16-13/h4,10-12H,2-3,5-9H2,1H3,(H,14,15)
InChIKeyKEYBRPLNESFWBD-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.47
Rot. Bonds9

About N-dec-1-en-4-yl-1,3-thiazol-2-amine

N-dec-1-en-4-yl-1,3-thiazol-2-amine (PubChem CID 4711973) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-dec-1-en-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-dec-1-en-4-yl-1,3-thiazol-2-amine
PubChem CID4711973
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-dec-1-en-4-yl-1,3-thiazol-2-amine
SMILESC=CCC(CCCCCC)Nc1nccs1
InChIInChI=1S/C13H22N2S/c1-3-5-6-7-9-12(8-4-2)15-13-14-10-11-16-13/h4,10-12H,2-3,5-9H2,1H3,(H,14,15)
InChIKeyKEYBRPLNESFWBD-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
CID 597966
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
tridec-1-en-4-ylhydrazine
CID 105269672
1-(1,3-thiazol-2-yl)undecan-2-ylhydrazine
CID 105324540
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825
N-hex-1-yn-3-yl-1,3-thiazol-2-amine
CID 106231440
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240

Frequently Asked Questions

What is the IUPAC name of N-dec-1-en-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-dec-1-en-4-yl-1,3-thiazol-2-amine (CID 4711973) is N-dec-1-en-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-dec-1-en-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-dec-1-en-4-yl-1,3-thiazol-2-amine is C=CCC(CCCCCC)Nc1nccs1.
What is the InChIKey of N-dec-1-en-4-yl-1,3-thiazol-2-amine?
The InChIKey is KEYBRPLNESFWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-6-7-9-12(8-4-2)15-13-14-10-11-16-13/h4,10-12H,2-3,5-9H2,1H3,(H,14,15).
What are the key properties of N-dec-1-en-4-yl-1,3-thiazol-2-amine?
N-dec-1-en-4-yl-1,3-thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-1-en-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 4711973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).