N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C14H16F2N2S — CID 61334813

IUPACN-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H16F2N2S/c1-8(2)17-13(14-18-9(3)7-19-14)11-6-10(15)4-5-12(11)16/h4-8,13,17H,1-3H3
InChIKeyUYVLYYQISJHXPQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.82
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61334813) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61334813
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2cc(F)ccc2F)n1
InChIInChI=1S/C14H16F2N2S/c1-8(2)17-13(14-18-9(3)7-19-14)11-6-10(15)4-5-12(11)16/h4-8,13,17H,1-3H3
InChIKeyUYVLYYQISJHXPQ-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61334813) is N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1csc(C(NC(C)C)c2cc(F)ccc2F)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is UYVLYYQISJHXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-8(2)17-13(14-18-9(3)7-19-14)11-6-10(15)4-5-12(11)16/h4-8,13,17H,1-3H3.
What are the key properties of N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61334813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).