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

C13H20N4OS — CID 104588564

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1c(CNCC(C)c2nccs2)c(C)nn1C
InChIInChI=1S/C13H20N4OS/c1-9(12-15-5-6-19-12)7-14-8-11-10(2)16-17(3)13(11)18-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyVWNLYXVRNDVHNO-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.09
Rot. Bonds6

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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104588564) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104588564
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1c(CNCC(C)c2nccs2)c(C)nn1C
InChIInChI=1S/C13H20N4OS/c1-9(12-15-5-6-19-12)7-14-8-11-10(2)16-17(3)13(11)18-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyVWNLYXVRNDVHNO-UHFFFAOYSA-N
XLogP2.09
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 115906881
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604266
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 113253092
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536
(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104588564) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is COc1c(CNCC(C)c2nccs2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is VWNLYXVRNDVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9(12-15-5-6-19-12)7-14-8-11-10(2)16-17(3)13(11)18-4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 280.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104588564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).