N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine

C18H26N2S — CID 115566923

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H26N2S/c1-2-3-4-5-6-10-13-19-14-18-20-17(15-21-18)16-11-8-7-9-12-16/h7-9,11-12,15,19H,2-6,10,13-14H2,1H3
InChIKeyRBSZSKLVSBXJBR-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.26
Rot. Bonds10

About N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine (PubChem CID 115566923) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
PubChem CID115566923
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H26N2S/c1-2-3-4-5-6-10-13-19-14-18-20-17(15-21-18)16-11-8-7-9-12-16/h7-9,11-12,15,19H,2-6,10,13-14H2,1H3
InChIKeyRBSZSKLVSBXJBR-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.26
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-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900725
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethanesulfonamide
CID 106336093

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine (CID 115566923) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine is CCCCCCCCNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
The InChIKey is RBSZSKLVSBXJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-2-3-4-5-6-10-13-19-14-18-20-17(15-21-18)16-11-8-7-9-12-16/h7-9,11-12,15,19H,2-6,10,13-14H2,1H3.
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine is sourced from PubChem (CID 115566923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).