1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C11H16N4S — CID 61004647

IUPAC1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1ncc(CNCc2cn[nH]c2C)s1
InChIInChI=1S/C11H16N4S/c1-3-11-13-7-10(16-11)6-12-4-9-5-14-15-8(9)2/h5,7,12H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyMGKRISUVVCUDPB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 61004647) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID61004647
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1ncc(CNCc2cn[nH]c2C)s1
InChIInChI=1S/C11H16N4S/c1-3-11-13-7-10(16-11)6-12-4-9-5-14-15-8(9)2/h5,7,12H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyMGKRISUVVCUDPB-UHFFFAOYSA-N
XLogP2.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61043119
2-[5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894868
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317797
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 63302222
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine
CID 86808535

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 61004647) is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is CCc1ncc(CNCc2cn[nH]c2C)s1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is MGKRISUVVCUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-11-13-7-10(16-11)6-12-4-9-5-14-15-8(9)2/h5,7,12H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61004647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).