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

C11H14N4S — CID 61330097

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3c(s2)CCC3)cn1
InChIInChI=1S/C11H14N4S/c1-15-6-7(5-13-15)10(12)11-14-8-3-2-4-9(8)16-11/h5-6,10H,2-4,12H2,1H3
InChIKeyNGPZRNAYUZJABT-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.41
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine (PubChem CID 61330097) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine
PubChem CID61330097
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3c(s2)CCC3)cn1
InChIInChI=1S/C11H14N4S/c1-15-6-7(5-13-15)10(12)11-14-8-3-2-4-9(8)16-11/h5-6,10H,2-4,12H2,1H3
InChIKeyNGPZRNAYUZJABT-UHFFFAOYSA-N
XLogP1.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.41
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-methylpyrazol-4-yl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine (CID 61330097) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2nc3c(s2)CCC3)cn1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is NGPZRNAYUZJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-15-6-7(5-13-15)10(12)11-14-8-3-2-4-9(8)16-11/h5-6,10H,2-4,12H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 234.33 g/mol, XLogP of 1.41, 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-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61330097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).