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

C11H16N4S — CID 65197785

IUPACN-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C11H16N4S/c1-4-12-7-10-8(2)13-11(16-10)9-5-6-15(3)14-9/h5-6,12H,4,7H2,1-3H3
InChIKeyLCTIDRXKOMJINX-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.96
Rot. Bonds4

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

N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 65197785) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID65197785
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C11H16N4S/c1-4-12-7-10-8(2)13-11(16-10)9-5-6-15(3)14-9/h5-6,12H,4,7H2,1-3H3
InChIKeyLCTIDRXKOMJINX-UHFFFAOYSA-N
XLogP1.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 65197785) is N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccn(C)n2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LCTIDRXKOMJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-12-7-10-8(2)13-11(16-10)9-5-6-15(3)14-9/h5-6,12H,4,7H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65197785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).