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

C11H16N4S — CID 63091936

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2cn[nH]c2C)n1
InChIInChI=1S/C11H16N4S/c1-7-6-16-11(14-7)9(3)12-4-10-5-13-15-8(10)2/h5-6,9,12H,4H2,1-3H3,(H,13,15)
InChIKeySYIFOINGFMFDDU-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.33
Rot. Bonds4

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63091936) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63091936
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2cn[nH]c2C)n1
InChIInChI=1S/C11H16N4S/c1-7-6-16-11(14-7)9(3)12-4-10-5-13-15-8(10)2/h5-6,9,12H,4H2,1-3H3,(H,13,15)
InChIKeySYIFOINGFMFDDU-UHFFFAOYSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63091936) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCc2cn[nH]c2C)n1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is SYIFOINGFMFDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-6-16-11(14-7)9(3)12-4-10-5-13-15-8(10)2/h5-6,9,12H,4H2,1-3H3,(H,13,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63091936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).