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

C15H16N4S — CID 81471174

IUPACN-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCNCCc1nc(-c2cnn(-c3ccccc3)c2)cs1
InChIInChI=1S/C15H16N4S/c1-16-8-7-15-18-14(11-20-15)12-9-17-19(10-12)13-5-3-2-4-6-13/h2-6,9-11,16H,7-8H2,1H3
InChIKeyDKMCDYMAFRAGQW-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.76
Rot. Bonds5

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

N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 81471174) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID81471174
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCNCCc1nc(-c2cnn(-c3ccccc3)c2)cs1
InChIInChI=1S/C15H16N4S/c1-16-8-7-15-18-14(11-20-15)12-9-17-19(10-12)13-5-3-2-4-6-13/h2-6,9-11,16H,7-8H2,1H3
InChIKeyDKMCDYMAFRAGQW-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 154805217
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine
CID 167937278
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186852
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 120558345
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine
CID 4262299
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine (CID 81471174) is N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine is CNCCc1nc(-c2cnn(-c3ccccc3)c2)cs1.
What is the InChIKey of N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DKMCDYMAFRAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-16-8-7-15-18-14(11-20-15)12-9-17-19(10-12)13-5-3-2-4-6-13/h2-6,9-11,16H,7-8H2,1H3.
What are the key properties of N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine?
N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 81471174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).