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

C12H22N2S — CID 61331846

IUPAC1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1nc(C)cs1
InChIInChI=1S/C12H22N2S/c1-3-4-5-6-7-8-11(13)12-14-10(2)9-15-12/h9,11H,3-8,13H2,1-2H3
InChIKeyMHPGLLVUXHYWPO-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.81
Rot. Bonds7

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

1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine (PubChem CID 61331846) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
PubChem CID61331846
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1nc(C)cs1
InChIInChI=1S/C12H22N2S/c1-3-4-5-6-7-8-11(13)12-14-10(2)9-15-12/h9,11H,3-8,13H2,1-2H3
InChIKeyMHPGLLVUXHYWPO-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.81
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-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
CID 61331075
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-1-ol
CID 104769579
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine (CID 61331846) is 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine is CCCCCCCC(N)c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine?
The InChIKey is MHPGLLVUXHYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-4-5-6-7-8-11(13)12-14-10(2)9-15-12/h9,11H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine is sourced from PubChem (CID 61331846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).