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

C11H16N4S — CID 115879479

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCc1cnn(CCNC(C)c2cscn2)c1
InChIInChI=1S/C11H16N4S/c1-9-5-14-15(6-9)4-3-12-10(2)11-7-16-8-13-11/h5-8,10,12H,3-4H2,1-2H3
InChIKeyZXKMSAGIFXXPBW-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.00
Rot. Bonds5

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

N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879479) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879479
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCc1cnn(CCNC(C)c2cscn2)c1
InChIInChI=1S/C11H16N4S/c1-9-5-14-15(6-9)4-3-12-10(2)11-7-16-8-13-11/h5-8,10,12H,3-4H2,1-2H3
InChIKeyZXKMSAGIFXXPBW-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 107167550
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 115867879
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232712
N,N-diethyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232717
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
N-[(6-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115879479) is N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is Cc1cnn(CCNC(C)c2cscn2)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is ZXKMSAGIFXXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9-5-14-15(6-9)4-3-12-10(2)11-7-16-8-13-11/h5-8,10,12H,3-4H2,1-2H3.
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).