2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine

C13H24N2S — CID 102625968

IUPAC2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine
SMILESCCCCCCc1csc(C(C)CNC)n1
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-12-10-16-13(15-12)11(2)9-14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyOMOZKQQICFYGDK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.59
Rot. Bonds8

About 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine

2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine (PubChem CID 102625968) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine
PubChem CID102625968
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine
SMILESCCCCCCc1csc(C(C)CNC)n1
InChIInChI=1S/C13H24N2S/c1-4-5-6-7-8-12-10-16-13(15-12)11(2)9-14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyOMOZKQQICFYGDK-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.59
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

4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-octyl-4-propyl-1,3-thiazole
CID 86124626
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine (CID 102625968) is 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine is CCCCCCc1csc(C(C)CNC)n1.
What is the InChIKey of 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is OMOZKQQICFYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-5-6-7-8-12-10-16-13(15-12)11(2)9-14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine?
2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexyl-1,3-thiazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 102625968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).