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

C16H24N4S — CID 61333274

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1C(NC(C)C)c1nc2c(s1)CCC2
InChIInChI=1S/C16H24N4S/c1-9(2)17-15(14-10(3)19-20(5)11(14)4)16-18-12-7-6-8-13(12)21-16/h9,15,17H,6-8H2,1-5H3
InChIKeyOSPDZMKZJLRJIG-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.07
Rot. Bonds4

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 61333274) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID61333274
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1C(NC(C)C)c1nc2c(s1)CCC2
InChIInChI=1S/C16H24N4S/c1-9(2)17-15(14-10(3)19-20(5)11(14)4)16-18-12-7-6-8-13(12)21-16/h9,15,17H,6-8H2,1-5H3
InChIKeyOSPDZMKZJLRJIG-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.07
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-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 61333274) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1C(NC(C)C)c1nc2c(s1)CCC2.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is OSPDZMKZJLRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-9(2)17-15(14-10(3)19-20(5)11(14)4)16-18-12-7-6-8-13(12)21-16/h9,15,17H,6-8H2,1-5H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.07, 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-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 61333274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).