N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine

C16H18ClFN2S — CID 114859199

IUPACN-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2S/c1-2-8-19-15(11-9-10(17)6-7-12(11)18)16-20-13-4-3-5-14(13)21-16/h6-7,9,15,19H,2-5,8H2,1H3
InChIKeyDEGIJELWIXREBR-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.51
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine

N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine (PubChem CID 114859199) has the molecular formula C16H18ClFN2S and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
PubChem CID114859199
Molecular FormulaC16H18ClFN2S
Molecular Weight324.85 g/mol
Exact Mass324.09
IUPAC NameN-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1cc(Cl)ccc1F
InChIInChI=1S/C16H18ClFN2S/c1-2-8-19-15(11-9-10(17)6-7-12(11)18)16-20-13-4-3-5-14(13)21-16/h6-7,9,15,19H,2-5,8H2,1H3
InChIKeyDEGIJELWIXREBR-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 61335764
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
CID 61336158
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 115380875
N-[(4-fluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62122591
N-[(3-bromo-4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331208
N-[(3-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine
CID 115380876
N-[(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494336
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine (CID 114859199) is N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc2c(s1)CCC2)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is DEGIJELWIXREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2S/c1-2-8-19-15(11-9-10(17)6-7-12(11)18)16-20-13-4-3-5-14(13)21-16/h6-7,9,15,19H,2-5,8H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 324.85 g/mol, XLogP of 4.51, 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)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114859199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).