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

C15H22N4OS — CID 79569279

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc2c(s1)CCC2)c1cnn(C)c1C
InChIInChI=1S/C15H22N4OS/c1-10-11(9-17-19(10)2)14(16-7-8-20-3)15-18-12-5-4-6-13(12)21-15/h9,14,16H,4-8H2,1-3H3
InChIKeyZZYPFSQSTSIHBQ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.00
Rot. Bonds6

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 79569279) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID79569279
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc2c(s1)CCC2)c1cnn(C)c1C
InChIInChI=1S/C15H22N4OS/c1-10-11(9-17-19(10)2)14(16-7-8-20-3)15-18-12-5-4-6-13(12)21-15/h9,14,16H,4-8H2,1-3H3
InChIKeyZZYPFSQSTSIHBQ-UHFFFAOYSA-N
XLogP2.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 79569279) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc2c(s1)CCC2)c1cnn(C)c1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is ZZYPFSQSTSIHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-11(9-17-19(10)2)14(16-7-8-20-3)15-18-12-5-4-6-13(12)21-15/h9,14,16H,4-8H2,1-3H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 306.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79569279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).