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

C13H15N3S — CID 104822866

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2nc3c(s2)CCC3)cn1
InChIInChI=1S/C13H15N3S/c1-8-5-6-9(7-15-8)12(14)13-16-10-3-2-4-11(10)17-13/h5-7,12H,2-4,14H2,1H3
InChIKeyVDQNRMJQNYYMCO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.38
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine (PubChem CID 104822866) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine
PubChem CID104822866
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2nc3c(s2)CCC3)cn1
InChIInChI=1S/C13H15N3S/c1-8-5-6-9(7-15-8)12(14)13-16-10-3-2-4-11(10)17-13/h5-7,12H,2-4,14H2,1H3
InChIKeyVDQNRMJQNYYMCO-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine (CID 104822866) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(C(N)c2nc3c(s2)CCC3)cn1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is VDQNRMJQNYYMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8-5-6-9(7-15-8)12(14)13-16-10-3-2-4-11(10)17-13/h5-7,12H,2-4,14H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 104822866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).