N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine

C14H16N2OS — CID 15956089

IUPACN-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CCOc1cccc(Nc2nccs2)c1
InChIInChI=1S/C14H16N2OS/c1-11(2)6-8-17-13-5-3-4-12(10-13)16-14-15-7-9-18-14/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyGJDHBTSOLNZCMP-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.23
Rot. Bonds5

About N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine

N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956089) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956089
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CCOc1cccc(Nc2nccs2)c1
InChIInChI=1S/C14H16N2OS/c1-11(2)6-8-17-13-5-3-4-12(10-13)16-14-15-7-9-18-14/h3-7,9-10H,8H2,1-2H3,(H,15,16)
InChIKeyGJDHBTSOLNZCMP-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(3-methylbut-2-enoxy)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

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
5-bromo-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068639
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956092
2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
(5-Bromo-thiazol-2-yl)-(4-methoxy-phenyl)-amine
CID 12348632
5-bromo-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068742
5-bromo-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 16068854
(4-Allyloxy-benzyl)-thiazol-2-yl-amine
CID 2215540
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]thiazol-2-amine
CID 15956109
(3-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972986
N-(3-Methoxyphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 1092468

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (CID 15956089) is N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is CC(C)=CCOc1cccc(Nc2nccs2)c1.
What is the InChIKey of N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GJDHBTSOLNZCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11(2)6-8-17-13-5-3-4-12(10-13)16-14-15-7-9-18-14/h3-7,9-10H,8H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).