(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine

C12H22N2S — CID 101037825

IUPAC(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCCCCCc1cnc([C@@H](N)CC)s1
InChIInChI=1S/C12H22N2S/c1-3-5-6-7-8-10-9-14-12(15-10)11(13)4-2/h9,11H,3-8,13H2,1-2H3/t11-/m0/s1
InChIKeyQUQBOXRTJXSTGU-NSHDSACASA-N
MW226.39 g/mol
LogP3.68
Rot. Bonds7

About (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine

(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 101037825) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID101037825
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCCCCCc1cnc([C@@H](N)CC)s1
InChIInChI=1S/C12H22N2S/c1-3-5-6-7-8-10-9-14-12(15-10)11(13)4-2/h9,11H,3-8,13H2,1-2H3/t11-/m0/s1
InChIKeyQUQBOXRTJXSTGU-NSHDSACASA-N
XLogP3.68
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 ≤ 53.68
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

5-hexyl-2-[(6S,7S)-7-methyldodecan-6-yl]-1,3-thiazole
CID 139385862
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
ethyl 5-pentyl-1,3-thiazole-2-carboxylate;5-pentyl-1,3-thiazole-2-carboxylic acid
CID 139349558
1-(5-iodo-1,3-thiazol-2-yl)butan-1-amine
CID 66220876
2,5-diheptylthiophene
CID 607114
2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
2,5-dipropyl-1,3-thiazole
CID 588151
(5-propyl-1,3-thiazol-2-yl)methanamine
CID 4036260
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
1-(5-methyl-2-nonyl-1H-imidazol-4-yl)propan-1-amine
CID 141279115

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine (CID 101037825) is (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine is CCCCCCc1cnc([C@@H](N)CC)s1.
What is the InChIKey of (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is QUQBOXRTJXSTGU-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-5-6-7-8-10-9-14-12(15-10)11(13)4-2/h9,11H,3-8,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine?
(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 101037825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).