(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine

C13H12F2N2S — CID 61330098

IUPAC(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCC2)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2S/c14-7-4-5-9(15)8(6-7)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2
InChIKeyILGGVURBHLDMHT-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.96
Rot. Bonds2

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

(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (PubChem CID 61330098) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
PubChem CID61330098
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCC2)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2S/c14-7-4-5-9(15)8(6-7)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2
InChIKeyILGGVURBHLDMHT-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine
CID 50987518
2-[4-(2-Fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine
CID 112677187
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 50949095
1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine
CID 75395422
(1R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfonyl-1-phenylethanamine
CID 97882086
(4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanamine
CID 2783045
(4-Methylthiazol-2-yl)(phenyl)methanamine
CID 19104068
(1S,2R,5S)-5-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 24861565
trans-(1S,5S)-5-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 57931348
5-(3,4-Difluorophenyl)-2,4-dimethyl-1,3-thiazole
CID 58245742
1-[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine
CID 61280520

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (CID 61330098) is (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is NC(c1nc2c(s1)CCC2)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The InChIKey is ILGGVURBHLDMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-7-4-5-9(15)8(6-7)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2.
What are the key properties of (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine has a molecular weight of 266.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 61330098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).