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

C17H22N2S — CID 61336158

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1ccccc1C
InChIInChI=1S/C17H22N2S/c1-3-11-18-16(13-8-5-4-7-12(13)2)17-19-14-9-6-10-15(14)20-17/h4-5,7-8,16,18H,3,6,9-11H2,1-2H3
InChIKeyGBGABNMRRFUSNN-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.03
Rot. Bonds5

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 61336158) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
PubChem CID61336158
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)c1ccccc1C
InChIInChI=1S/C17H22N2S/c1-3-11-18-16(13-8-5-4-7-12(13)2)17-19-14-9-6-10-15(14)20-17/h4-5,7-8,16,18H,3,6,9-11H2,1-2H3
InChIKeyGBGABNMRRFUSNN-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine (CID 61336158) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1nc2c(s1)CCC2)c1ccccc1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is GBGABNMRRFUSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-11-18-16(13-8-5-4-7-12(13)2)17-19-14-9-6-10-15(14)20-17/h4-5,7-8,16,18H,3,6,9-11H2,1-2H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 61336158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).