5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C17H24N6OS — CID 46980513

IUPAC5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1-c1cncn1CCCn1nc(C)cc1C
InChIInChI=1S/C17H24N6OS/c1-12-9-13(2)23(20-12)8-6-7-22-11-18-10-14(22)15-16(24-5)19-17(25-15)21(3)4/h9-11H,6-8H2,1-5H3
InChIKeyIETSMJIQHJOUOY-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.98
Rot. Bonds7

About 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 46980513) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID46980513
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1-c1cncn1CCCn1nc(C)cc1C
InChIInChI=1S/C17H24N6OS/c1-12-9-13(2)23(20-12)8-6-7-22-11-18-10-14(22)15-16(24-5)19-17(25-15)21(3)4/h9-11H,6-8H2,1-5H3
InChIKeyIETSMJIQHJOUOY-UHFFFAOYSA-N
XLogP2.98
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 46980513) is 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1-c1cncn1CCCn1nc(C)cc1C.
What is the InChIKey of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IETSMJIQHJOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-12-9-13(2)23(20-12)8-6-7-22-11-18-10-14(22)15-16(24-5)19-17(25-15)21(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 360.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 46980513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).