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

C16H22N6S — CID 56862794

IUPAC5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(Cn2ccnc2-c2cnc(N(C)C)s2)c1C
InChIInChI=1S/C16H22N6S/c1-6-22-12(3)13(11(2)19-22)10-21-8-7-17-15(21)14-9-18-16(23-14)20(4)5/h7-9H,6,10H2,1-5H3
InChIKeyYTWXGMHPGLZORP-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.95
Rot. Bonds5

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

5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 56862794) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID56862794
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(Cn2ccnc2-c2cnc(N(C)C)s2)c1C
InChIInChI=1S/C16H22N6S/c1-6-22-12(3)13(11(2)19-22)10-21-8-7-17-15(21)14-9-18-16(23-14)20(4)5/h7-9H,6,10H2,1-5H3
InChIKeyYTWXGMHPGLZORP-UHFFFAOYSA-N
XLogP2.95
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 56862794) is 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine is CCn1nc(C)c(Cn2ccnc2-c2cnc(N(C)C)s2)c1C.
What is the InChIKey of 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is YTWXGMHPGLZORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-6-22-12(3)13(11(2)19-22)10-21-8-7-17-15(21)14-9-18-16(23-14)20(4)5/h7-9H,6,10H2,1-5H3.
What are the key properties of 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 330.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 56862794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).