N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine

C17H24N2S — CID 63280424

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCc1scnc1C)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-3-4-6-11-16(15-9-7-5-8-10-15)18-12-17-14(2)19-13-20-17/h5,7-10,13,16,18H,3-4,6,11-12H2,1-2H3
InChIKeyUIXDCZLIFCBRLS-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.86
Rot. Bonds8

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine (PubChem CID 63280424) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine
PubChem CID63280424
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCc1scnc1C)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-3-4-6-11-16(15-9-7-5-8-10-15)18-12-17-14(2)19-13-20-17/h5,7-10,13,16,18H,3-4,6,11-12H2,1-2H3
InChIKeyUIXDCZLIFCBRLS-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.86
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-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpentan-1-amine
CID 63305743
1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 75383153
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine (CID 63280424) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine is CCCCCC(NCc1scnc1C)c1ccccc1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine?
The InChIKey is UIXDCZLIFCBRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-4-6-11-16(15-9-7-5-8-10-15)18-12-17-14(2)19-13-20-17/h5,7-10,13,16,18H,3-4,6,11-12H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine is sourced from PubChem (CID 63280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).