N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline

C25H32N2OS — CID 69187320

IUPACN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline
SMILESCCC(CC)c1ccc(N(Cc2nc(-c3ccc(OC)cc3)cs2)C(C)C)cc1
InChIInChI=1S/C25H32N2OS/c1-6-19(7-2)20-8-12-22(13-9-20)27(18(3)4)16-25-26-24(17-29-25)21-10-14-23(28-5)15-11-21/h8-15,17-19H,6-7,16H2,1-5H3
InChIKeyLLYHKTOBTVTHSH-UHFFFAOYSA-N
MW408.61 g/mol
LogP7.14
Rot. Bonds9

About N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline (PubChem CID 69187320) has the molecular formula C25H32N2OS and a molecular weight of 408.61 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline
PubChem CID69187320
Molecular FormulaC25H32N2OS
Molecular Weight408.61 g/mol
Exact Mass408.22
IUPAC NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline
SMILESCCC(CC)c1ccc(N(Cc2nc(-c3ccc(OC)cc3)cs2)C(C)C)cc1
InChIInChI=1S/C25H32N2OS/c1-6-19(7-2)20-8-12-22(13-9-20)27(18(3)4)16-25-26-24(17-29-25)21-10-14-23(28-5)15-11-21/h8-15,17-19H,6-7,16H2,1-5H3
InChIKeyLLYHKTOBTVTHSH-UHFFFAOYSA-N
XLogP7.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.61
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline (CID 69187320) is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline is CCC(CC)c1ccc(N(Cc2nc(-c3ccc(OC)cc3)cs2)C(C)C)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline?
The InChIKey is LLYHKTOBTVTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2OS/c1-6-19(7-2)20-8-12-22(13-9-20)27(18(3)4)16-25-26-24(17-29-25)21-10-14-23(28-5)15-11-21/h8-15,17-19H,6-7,16H2,1-5H3.
What are the key properties of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline?
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline has a molecular weight of 408.61 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline is sourced from PubChem (CID 69187320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).