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

C14H20N4S — CID 61332747

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1nc2c(s1)CCC2)c1c(C)nn(C)c1C
InChIInChI=1S/C14H20N4S/c1-8-12(9(2)18(4)17-8)13(15-3)14-16-10-6-5-7-11(10)19-14/h13,15H,5-7H2,1-4H3
InChIKeyMOLQUJXAZGZCJE-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.29
Rot. Bonds3

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 61332747) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID61332747
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1nc2c(s1)CCC2)c1c(C)nn(C)c1C
InChIInChI=1S/C14H20N4S/c1-8-12(9(2)18(4)17-8)13(15-3)14-16-10-6-5-7-11(10)19-14/h13,15H,5-7H2,1-4H3
InChIKeyMOLQUJXAZGZCJE-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 61332747) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CNC(c1nc2c(s1)CCC2)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is MOLQUJXAZGZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-8-12(9(2)18(4)17-8)13(15-3)14-16-10-6-5-7-11(10)19-14/h13,15H,5-7H2,1-4H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61332747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).