N-pentyl-4-phenyl-1,3-thiazol-2-amine

C14H18N2S — CID 2560470

IUPACN-pentyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-2-3-7-10-15-14-16-13(11-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,15,16)
InChIKeyWAYVWYUXTGEBNF-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.41
Rot. Bonds6

About N-pentyl-4-phenyl-1,3-thiazol-2-amine

N-pentyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2560470) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-pentyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2560470
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-pentyl-4-phenyl-1,3-thiazol-2-amine
SMILESCCCCCNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2S/c1-2-3-7-10-15-14-16-13(11-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,15,16)
InChIKeyWAYVWYUXTGEBNF-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-4-phenyl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-pentyl-4-phenyl-1,3-thiazol-2-amine (CID 2560470) is N-pentyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-pentyl-4-phenyl-1,3-thiazol-2-amine is CCCCCNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-pentyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is WAYVWYUXTGEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-3-7-10-15-14-16-13(11-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,15,16).
What are the key properties of N-pentyl-4-phenyl-1,3-thiazol-2-amine?
N-pentyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2560470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).