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

C13H18N4S — CID 61332009

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H18N4S/c1-3-14-12(9-7-15-17(2)8-9)13-16-10-5-4-6-11(10)18-13/h7-8,12,14H,3-6H2,1-2H3
InChIKeyNBWKGTHEDHJUPD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.06
Rot. Bonds4

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 61332009) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID61332009
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H18N4S/c1-3-14-12(9-7-15-17(2)8-9)13-16-10-5-4-6-11(10)18-13/h7-8,12,14H,3-6H2,1-2H3
InChIKeyNBWKGTHEDHJUPD-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.06
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-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 61332009) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is NBWKGTHEDHJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-12(9-7-15-17(2)8-9)13-16-10-5-4-6-11(10)18-13/h7-8,12,14H,3-6H2,1-2H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.06, 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-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61332009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).