N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine

C10H18N2S — CID 3249621

IUPACN-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
SMILESCCCCCc1cnc(CNC)s1
InChIInChI=1S/C10H18N2S/c1-3-4-5-6-9-7-12-10(13-9)8-11-2/h7,11H,3-6,8H2,1-2H3
InChIKeyVTFSMMHLNFRCSO-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine

N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine (PubChem CID 3249621) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
PubChem CID3249621
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
SMILESCCCCCc1cnc(CNC)s1
InChIInChI=1S/C10H18N2S/c1-3-4-5-6-9-7-12-10(13-9)8-11-2/h7,11H,3-6,8H2,1-2H3
InChIKeyVTFSMMHLNFRCSO-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.60
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

N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
2,5-dipropyl-1,3-thiazole
CID 588151
(1S)-1-(5-hexyl-1,3-thiazol-2-yl)propan-1-amine
CID 101037825
N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82191047
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
5-(bromomethyl)-2-propyl-1,3-thiazole
CID 82422468
(5-propyl-1,3-thiazol-2-yl)methanamine
CID 4036260
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700
1-(5-heptoxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80623732

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine (CID 3249621) is N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine is CCCCCc1cnc(CNC)s1.
What is the InChIKey of N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is VTFSMMHLNFRCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-4-5-6-9-7-12-10(13-9)8-11-2/h7,11H,3-6,8H2,1-2H3.
What are the key properties of N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine?
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 198.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 3249621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).