5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine

C14H18N2O2S — CID 164893864

IUPAC5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCCCOc1ccc(-c2cnc(N)s2)cc1OC
InChIInChI=1S/C14H18N2O2S/c1-3-4-7-18-11-6-5-10(8-12(11)17-2)13-9-16-14(15)19-13/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyZVZOOKSBHCVVKS-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.58
Rot. Bonds6

About 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine

5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 164893864) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID164893864
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCCCOc1ccc(-c2cnc(N)s2)cc1OC
InChIInChI=1S/C14H18N2O2S/c1-3-4-7-18-11-6-5-10(8-12(11)17-2)13-9-16-14(15)19-13/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyZVZOOKSBHCVVKS-UHFFFAOYSA-N
XLogP3.58
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-butoxy-3-methoxyphenyl)-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

2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 82160764
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775314
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
3,6-bis(3,4-dipentoxyphenyl)-1,2,4,5-tetrazine
CID 102109061
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
4-butoxy-3-methoxybenzamide
CID 47102628
2-[2-[2-(3-butoxy-4-methoxyphenyl)-5-propyl-1,3-thiazol-4-yl]ethyl]pyrimidine-4,6-diamine
CID 122492018
2-(4-butoxy-3-methoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 16769325
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine (CID 164893864) is 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine is CCCCOc1ccc(-c2cnc(N)s2)cc1OC.
What is the InChIKey of 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZVZOOKSBHCVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-4-7-18-11-6-5-10(8-12(11)17-2)13-9-16-14(15)19-13/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16).
What are the key properties of 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine?
5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164893864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).