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

C15H22N4S — CID 79584000

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1c(C(NC(C)C)c2nc3c(s2)CCC3)cnn1C
InChIInChI=1S/C15H22N4S/c1-9(2)17-14(11-8-16-19(4)10(11)3)15-18-12-6-5-7-13(12)20-15/h8-9,14,17H,5-7H2,1-4H3
InChIKeySVHLQMGFHMJTDH-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.76
Rot. Bonds4

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 79584000) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID79584000
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1c(C(NC(C)C)c2nc3c(s2)CCC3)cnn1C
InChIInChI=1S/C15H22N4S/c1-9(2)17-14(11-8-16-19(4)10(11)3)15-18-12-6-5-7-13(12)20-15/h8-9,14,17H,5-7H2,1-4H3
InChIKeySVHLQMGFHMJTDH-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.76
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-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine (CID 79584000) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1c(C(NC(C)C)c2nc3c(s2)CCC3)cnn1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is SVHLQMGFHMJTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-9(2)17-14(11-8-16-19(4)10(11)3)15-18-12-6-5-7-13(12)20-15/h8-9,14,17H,5-7H2,1-4H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 290.44 g/mol, XLogP of 2.76, 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-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 79584000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).