N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline

C16H22N2S — CID 104769646

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCc2nc(C)cs2)cc1
InChIInChI=1S/C16H22N2S/c1-3-4-5-6-14-7-9-15(10-8-14)17-11-16-18-13(2)12-19-16/h7-10,12,17H,3-6,11H2,1-2H3
InChIKeyWSHPAAGEIJDPIR-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.80
Rot. Bonds7

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline (PubChem CID 104769646) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
PubChem CID104769646
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCc2nc(C)cs2)cc1
InChIInChI=1S/C16H22N2S/c1-3-4-5-6-14-7-9-15(10-8-14)17-11-16-18-13(2)12-19-16/h7-10,12,17H,3-6,11H2,1-2H3
InChIKeyWSHPAAGEIJDPIR-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.80
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

4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743550
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N-(2,2-dimethylpropyl)-4-pentylaniline
CID 63421535
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
N-ethyl-4-nonylaniline
CID 154108619
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline (CID 104769646) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline is CCCCCc1ccc(NCc2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline?
The InChIKey is WSHPAAGEIJDPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-4-5-6-14-7-9-15(10-8-14)17-11-16-18-13(2)12-19-16/h7-10,12,17H,3-6,11H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline has a molecular weight of 274.43 g/mol, XLogP of 4.80, 7 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-2-yl)methyl]-4-pentylaniline is sourced from PubChem (CID 104769646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).