N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine

C13H20N4S — CID 43647766

IUPACN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2csc(C)n2)c1C
InChIInChI=1S/C13H20N4S/c1-5-14-6-13-9(2)16-17(10(13)3)7-12-8-18-11(4)15-12/h8,14H,5-7H2,1-4H3
InChIKeyXDVQFOLOXLVVKP-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.42
Rot. Bonds5

About N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 43647766) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID43647766
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2csc(C)n2)c1C
InChIInChI=1S/C13H20N4S/c1-5-14-6-13-9(2)16-17(10(13)3)7-12-8-18-11(4)15-12/h8,14H,5-7H2,1-4H3
InChIKeyXDVQFOLOXLVVKP-UHFFFAOYSA-N
XLogP2.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 43647766) is N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(Cc2csc(C)n2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is XDVQFOLOXLVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-14-6-13-9(2)16-17(10(13)3)7-12-8-18-11(4)15-12/h8,14H,5-7H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 43647766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).