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

C11H16N4S — CID 105148600

IUPACN-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)c1ccnn1C
InChIInChI=1S/C11H16N4S/c1-4-12-11(9-7-16-8(2)14-9)10-5-6-13-15(10)3/h5-7,11-12H,4H2,1-3H3
InChIKeyNETQLHYGHDHJGG-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.88
Rot. Bonds4

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

N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 105148600) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID105148600
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)c1ccnn1C
InChIInChI=1S/C11H16N4S/c1-4-12-11(9-7-16-8(2)14-9)10-5-6-13-15(10)3/h5-7,11-12H,4H2,1-3H3
InChIKeyNETQLHYGHDHJGG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105307453
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[(1-methylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199028
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858472
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199087
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 105148600) is N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is CCNC(c1csc(C)n1)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is NETQLHYGHDHJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-12-11(9-7-16-8(2)14-9)10-5-6-13-15(10)3/h5-7,11-12H,4H2,1-3H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105148600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).