4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine

C13H21N5S — CID 91843152

IUPAC4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)CCn2nc(C)cc2C)cs1
InChIInChI=1S/C13H21N5S/c1-10-7-11(2)18(16-10)6-5-17(4)8-12-9-19-13(14-3)15-12/h7,9H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyDTKBQZWRCQOHJY-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.13
Rot. Bonds6

About 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine

4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 91843152) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID91843152
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)CCn2nc(C)cc2C)cs1
InChIInChI=1S/C13H21N5S/c1-10-7-11(2)18(16-10)6-5-17(4)8-12-9-19-13(14-3)15-12/h7,9H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyDTKBQZWRCQOHJY-UHFFFAOYSA-N
XLogP2.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 91843152) is 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(CN(C)CCn2nc(C)cc2C)cs1.
What is the InChIKey of 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DTKBQZWRCQOHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-10-7-11(2)18(16-10)6-5-17(4)8-12-9-19-13(14-3)15-12/h7,9H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 91843152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).