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

C13H14ClFN2S — CID 114859186

IUPACN-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFN2S/c1-2-5-16-12(13-17-6-7-18-13)10-8-9(14)3-4-11(10)15/h3-4,6-8,12,16H,2,5H2,1H3
InChIKeyCTUNIIFXGAFFDD-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.02
Rot. Bonds5

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

N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 114859186) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID114859186
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC NameN-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccs1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFN2S/c1-2-5-16-12(13-17-6-7-18-13)10-8-9(14)3-4-11(10)15/h3-4,6-8,12,16H,2,5H2,1H3
InChIKeyCTUNIIFXGAFFDD-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 114859199
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
N-[(5-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131480

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 114859186) is N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccs1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is CTUNIIFXGAFFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-2-5-16-12(13-17-6-7-18-13)10-8-9(14)3-4-11(10)15/h3-4,6-8,12,16H,2,5H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 284.79 g/mol, XLogP of 4.02, 5 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)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114859186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).