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

C14H17FN2S — CID 61335982

IUPACN-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2S/c1-9(2)16-13(14-17-10(3)8-18-14)11-4-6-12(15)7-5-11/h4-9,13,16H,1-3H3
InChIKeyYFZFBZPRTQDKKV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.68
Rot. Bonds4

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

N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61335982) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61335982
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2S/c1-9(2)16-13(14-17-10(3)8-18-14)11-4-6-12(15)7-5-11/h4-9,13,16H,1-3H3
InChIKeyYFZFBZPRTQDKKV-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61335982) is N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1csc(C(NC(C)C)c2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is YFZFBZPRTQDKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(2)16-13(14-17-10(3)8-18-14)11-4-6-12(15)7-5-11/h4-9,13,16H,1-3H3.
What are the key properties of N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61335982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).