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

C15H20N6S — CID 167531223

IUPACN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CN(Cn2nc(C)cc2C)c2nccs2)n1
InChIInChI=1S/C15H20N6S/c1-11-7-13(3)20(17-11)9-19(15-16-5-6-22-15)10-21-14(4)8-12(2)18-21/h5-8H,9-10H2,1-4H3
InChIKeyYOYGBQSIVLDLDQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.89
Rot. Bonds5

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

N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 167531223) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID167531223
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC NameN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CN(Cn2nc(C)cc2C)c2nccs2)n1
InChIInChI=1S/C15H20N6S/c1-11-7-13(3)20(17-11)9-19(15-16-5-6-22-15)10-21-14(4)8-12(2)18-21/h5-8H,9-10H2,1-4H3
InChIKeyYOYGBQSIVLDLDQ-UHFFFAOYSA-N
XLogP2.89
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 167531223) is N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is Cc1cc(C)n(CN(Cn2nc(C)cc2C)c2nccs2)n1.
What is the InChIKey of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YOYGBQSIVLDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-11-7-13(3)20(17-11)9-19(15-16-5-6-22-15)10-21-14(4)8-12(2)18-21/h5-8H,9-10H2,1-4H3.
What are the key properties of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 316.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 167531223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).