N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H18N4OS — CID 113463495

IUPACN-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2c(C)nn(C)c2OC)s1
InChIInChI=1S/C12H18N4OS/c1-5-13-6-9-7-14-11(18-9)10-8(2)15-16(3)12(10)17-4/h7,13H,5-6H2,1-4H3
InChIKeyVDAKYGMATLICIA-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.97
Rot. Bonds5

About N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 113463495) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID113463495
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2c(C)nn(C)c2OC)s1
InChIInChI=1S/C12H18N4OS/c1-5-13-6-9-7-14-11(18-9)10-8(2)15-16(3)12(10)17-4/h7,13H,5-6H2,1-4H3
InChIKeyVDAKYGMATLICIA-UHFFFAOYSA-N
XLogP1.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113386044
5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
CID 61282140
N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191269
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
5-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116811786
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
CID 86792727
N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191242
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 113463495) is N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2c(C)nn(C)c2OC)s1.
What is the InChIKey of N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is VDAKYGMATLICIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-5-13-6-9-7-14-11(18-9)10-8(2)15-16(3)12(10)17-4/h7,13H,5-6H2,1-4H3.
What are the key properties of N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 266.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113463495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).