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

C15H22N4S — CID 61332394

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1nc2c(s1)CCC2)c1c(C)nn(C)c1C
InChIInChI=1S/C15H22N4S/c1-5-16-14(13-9(2)18-19(4)10(13)3)15-17-11-7-6-8-12(11)20-15/h14,16H,5-8H2,1-4H3
InChIKeyVMYRNHGGMFIKLN-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.68
Rot. Bonds4

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 61332394) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID61332394
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1nc2c(s1)CCC2)c1c(C)nn(C)c1C
InChIInChI=1S/C15H22N4S/c1-5-16-14(13-9(2)18-19(4)10(13)3)15-17-11-7-6-8-12(11)20-15/h14,16H,5-8H2,1-4H3
InChIKeyVMYRNHGGMFIKLN-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 61332394) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1nc2c(s1)CCC2)c1c(C)nn(C)c1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is VMYRNHGGMFIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-16-14(13-9(2)18-19(4)10(13)3)15-17-11-7-6-8-12(11)20-15/h14,16H,5-8H2,1-4H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 290.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61332394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).