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

C16H18F2N2S — CID 61335764

IUPACN-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2S/c1-2-8-19-15(11-7-6-10(17)9-12(11)18)16-20-13-4-3-5-14(13)21-16/h6-7,9,15,19H,2-5,8H2,1H3
InChIKeyKHFDLCQHBAHVHL-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.00
Rot. Bonds5

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

N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61335764) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
PubChem CID61335764
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2S/c1-2-8-19-15(11-7-6-10(17)9-12(11)18)16-20-13-4-3-5-14(13)21-16/h6-7,9,15,19H,2-5,8H2,1H3
InChIKeyKHFDLCQHBAHVHL-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 114859199
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
CID 61336158
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331219
N-[(3-bromothiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine
CID 115380875
N-[(3-bromothiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine
CID 115380876
N-[(4-fluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62122591
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(3-bromo-4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331208
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
1-(2,3-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 63667588
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine (CID 61335764) is N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc2c(s1)CCC2)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is KHFDLCQHBAHVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-2-8-19-15(11-7-6-10(17)9-12(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-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine?
N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 308.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61335764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).