(4-pentyl-1,3-thiazol-2-yl)methanamine

C9H16N2S — CID 69371976

IUPAC(4-pentyl-1,3-thiazol-2-yl)methanamine
SMILESCCCCCc1csc(CN)n1
InChIInChI=1S/C9H16N2S/c1-2-3-4-5-8-7-12-9(6-10)11-8/h7H,2-6,10H2,1H3
InChIKeyLMNQXPGYQPFCEA-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.33
Rot. Bonds5

About (4-pentyl-1,3-thiazol-2-yl)methanamine

(4-pentyl-1,3-thiazol-2-yl)methanamine (PubChem CID 69371976) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is (4-pentyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-pentyl-1,3-thiazol-2-yl)methanamine
PubChem CID69371976
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name(4-pentyl-1,3-thiazol-2-yl)methanamine
SMILESCCCCCc1csc(CN)n1
InChIInChI=1S/C9H16N2S/c1-2-3-4-5-8-7-12-9(6-10)11-8/h7H,2-6,10H2,1H3
InChIKeyLMNQXPGYQPFCEA-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.33
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

2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
2-octyl-4-propyl-1,3-thiazole
CID 86124626
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
CID 82547831
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929

Frequently Asked Questions

What is the IUPAC name of (4-pentyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-pentyl-1,3-thiazol-2-yl)methanamine (CID 69371976) is (4-pentyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-pentyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-pentyl-1,3-thiazol-2-yl)methanamine is CCCCCc1csc(CN)n1.
What is the InChIKey of (4-pentyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is LMNQXPGYQPFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-3-4-5-8-7-12-9(6-10)11-8/h7H,2-6,10H2,1H3.
What are the key properties of (4-pentyl-1,3-thiazol-2-yl)methanamine?
(4-pentyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 184.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 69371976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).