N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

C14H14ClFN2S — CID 114859222

IUPACN-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cc(Cl)ccc2F)n1
InChIInChI=1S/C14H14ClFN2S/c1-8-7-19-14(17-8)13(18-10-3-4-10)11-6-9(15)2-5-12(11)16/h2,5-7,10,13,18H,3-4H2,1H3
InChIKeyXSNNVIVITFHWGB-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.09
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 114859222) has the molecular formula C14H14ClFN2S and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID114859222
Molecular FormulaC14H14ClFN2S
Molecular Weight296.80 g/mol
Exact Mass296.06
IUPAC NameN-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cc(Cl)ccc2F)n1
InChIInChI=1S/C14H14ClFN2S/c1-8-7-19-14(17-8)13(18-10-3-4-10)11-6-9(15)2-5-12(11)16/h2,5-7,10,13,18H,3-4H2,1H3
InChIKeyXSNNVIVITFHWGB-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 114859222) is N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1csc(C(NC2CC2)c2cc(Cl)ccc2F)n1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is XSNNVIVITFHWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2S/c1-8-7-19-14(17-8)13(18-10-3-4-10)11-6-9(15)2-5-12(11)16/h2,5-7,10,13,18H,3-4H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 296.80 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114859222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).