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

C11H16N4S — CID 80528686

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NCc1ccn(C)n1
InChIInChI=1S/C11H16N4S/c1-8(11-9(2)13-7-16-11)12-6-10-4-5-15(3)14-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyOGDKDYMFDCWQFN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds4

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

N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 80528686) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID80528686
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NCc1ccn(C)n1
InChIInChI=1S/C11H16N4S/c1-8(11-9(2)13-7-16-11)12-6-10-4-5-15(3)14-10/h4-5,7-8,12H,6H2,1-3H3
InChIKeyOGDKDYMFDCWQFN-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107167630
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
N-[(1-methylpyrazol-3-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 78998285

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 80528686) is N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(C)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is OGDKDYMFDCWQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(11-9(2)13-7-16-11)12-6-10-4-5-15(3)14-10/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 80528686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).