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

C16H20N2OS — CID 115688032

IUPAC4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2ccc(OC3CCCC3)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-12-11-20-16(18-12)10-17-13-6-8-15(9-7-13)19-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3
InChIKeyXIVUGIZVHKPACN-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.39
Rot. Bonds5

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

4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 115688032) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID115688032
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2ccc(OC3CCCC3)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-12-11-20-16(18-12)10-17-13-6-8-15(9-7-13)19-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3
InChIKeyXIVUGIZVHKPACN-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 115688032) is 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is Cc1csc(CNc2ccc(OC3CCCC3)cc2)n1.
What is the InChIKey of 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is XIVUGIZVHKPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-11-20-16(18-12)10-17-13-6-8-15(9-7-13)19-14-4-2-3-5-14/h6-9,11,14,17H,2-5,10H2,1H3.
What are the key properties of 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 288.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 115688032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).