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

C15H16N4S — CID 107330598

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCc1nc(CC(N)c2ccnn2-c2ccccc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-18-12(10-20-11)9-14(16)15-7-8-17-19(15)13-5-3-2-4-6-13/h2-8,10,14H,9,16H2,1H3
InChIKeyRAWCQOHXLRFGCD-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.88
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine (PubChem CID 107330598) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
PubChem CID107330598
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCc1nc(CC(N)c2ccnn2-c2ccccc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-18-12(10-20-11)9-14(16)15-7-8-17-19(15)13-5-3-2-4-6-13/h2-8,10,14H,9,16H2,1H3
InChIKeyRAWCQOHXLRFGCD-UHFFFAOYSA-N
XLogP2.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 107330584
4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332084
1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158960
3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 112743003
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036
1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996961
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine (CID 107330598) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine is Cc1nc(CC(N)c2ccnn2-c2ccccc2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
The InChIKey is RAWCQOHXLRFGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-18-12(10-20-11)9-14(16)15-7-8-17-19(15)13-5-3-2-4-6-13/h2-8,10,14H,9,16H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107330598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).