(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine

C14H15FN2OS — CID 146427577

IUPAC(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1csc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)12-2-4-13(5-3-12)18-8-11(6-15)7-16/h2-6,9H,7-8,16H2,1H3/b11-6-
InChIKeyRYCQPKZMPHKRJC-WDZFZDKYSA-N
MW278.35 g/mol
LogP3.31
Rot. Bonds5

About (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146427577) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146427577
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1csc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)12-2-4-13(5-3-12)18-8-11(6-15)7-16/h2-6,9H,7-8,16H2,1H3/b11-6-
InChIKeyRYCQPKZMPHKRJC-WDZFZDKYSA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine 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 (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146427577) is (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is Cc1csc(-c2ccc(OC/C(=C\F)CN)cc2)n1.
What is the InChIKey of (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is RYCQPKZMPHKRJC-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)12-2-4-13(5-3-12)18-8-11(6-15)7-16/h2-6,9H,7-8,16H2,1H3/b11-6-.
What are the key properties of (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146427577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).