1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone

C15H20N4OS — CID 116585300

IUPAC1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone
SMILESNCc1nc(C(=O)Cc2ccn(C3CCCCC3)n2)cs1
InChIInChI=1S/C15H20N4OS/c16-9-15-17-13(10-21-15)14(20)8-11-6-7-19(18-11)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,16H2
InChIKeyPKLMVIOGFYDBCW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.73
Rot. Bonds5

About 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone

1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone (PubChem CID 116585300) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone
PubChem CID116585300
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone
SMILESNCc1nc(C(=O)Cc2ccn(C3CCCCC3)n2)cs1
InChIInChI=1S/C15H20N4OS/c16-9-15-17-13(10-21-15)14(20)8-11-6-7-19(18-11)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,16H2
InChIKeyPKLMVIOGFYDBCW-UHFFFAOYSA-N
XLogP2.73
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116585161
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601990
1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601706
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105104774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone (CID 116585300) is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone is NCc1nc(C(=O)Cc2ccn(C3CCCCC3)n2)cs1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The InChIKey is PKLMVIOGFYDBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-9-15-17-13(10-21-15)14(20)8-11-6-7-19(18-11)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,16H2.
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone?
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116585300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).