4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline

C18H20N2S2 — CID 82163452

IUPAC4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline
SMILESCc1sc(C(C)(C)Cc2ccc(N)cc2)nc1-c1cccs1
InChIInChI=1S/C18H20N2S2/c1-12-16(15-5-4-10-21-15)20-17(22-12)18(2,3)11-13-6-8-14(19)9-7-13/h4-10H,11,19H2,1-3H3
InChIKeyMEHBJZLPFBLDPD-UHFFFAOYSA-N
MW328.51 g/mol
LogP5.28
Rot. Bonds4

About 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline

4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline (PubChem CID 82163452) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline
PubChem CID82163452
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline
SMILESCc1sc(C(C)(C)Cc2ccc(N)cc2)nc1-c1cccs1
InChIInChI=1S/C18H20N2S2/c1-12-16(15-5-4-10-21-15)20-17(22-12)18(2,3)11-13-6-8-14(19)9-7-13/h4-10H,11,19H2,1-3H3
InChIKeyMEHBJZLPFBLDPD-UHFFFAOYSA-N
XLogP5.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline 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 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline?
The IUPAC name of 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline (CID 82163452) is 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline.
What is the SMILES notation for 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline?
The canonical SMILES for 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline is Cc1sc(C(C)(C)Cc2ccc(N)cc2)nc1-c1cccs1.
What is the InChIKey of 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline?
The InChIKey is MEHBJZLPFBLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-12-16(15-5-4-10-21-15)20-17(22-12)18(2,3)11-13-6-8-14(19)9-7-13/h4-10H,11,19H2,1-3H3.
What are the key properties of 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline?
4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline has a molecular weight of 328.51 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline is sourced from PubChem (CID 82163452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).