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

C13H18N4S — CID 61330304

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1nc2c(s1)CCC2
InChIInChI=1S/C13H18N4S/c1-7-11(8(2)17(3)16-7)12(14)13-15-9-5-4-6-10(9)18-13/h12H,4-6,14H2,1-3H3
InChIKeyNDIOMACYPIJCDP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.03
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 61330304) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID61330304
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1nc2c(s1)CCC2
InChIInChI=1S/C13H18N4S/c1-7-11(8(2)17(3)16-7)12(14)13-15-9-5-4-6-10(9)18-13/h12H,4-6,14H2,1-3H3
InChIKeyNDIOMACYPIJCDP-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 61330304) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is NDIOMACYPIJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-7-11(8(2)17(3)16-7)12(14)13-15-9-5-4-6-10(9)18-13/h12H,4-6,14H2,1-3H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61330304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).