1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

C13H21N5OS — CID 105186785

IUPAC1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H21N5OS/c1-6-9-13(20-17-16-9)11(14-4)12-10(19-5)7-15-18(12)8(2)3/h7-8,11,14H,6H2,1-5H3
InChIKeyWSSFFPJQAPRGOQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.20
Rot. Bonds6

About 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105186785) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105186785
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H21N5OS/c1-6-9-13(20-17-16-9)11(14-4)12-10(19-5)7-15-18(12)8(2)3/h7-8,11,14H,6H2,1-5H3
InChIKeyWSSFFPJQAPRGOQ-UHFFFAOYSA-N
XLogP2.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 103407509
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105186690
1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186805
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114657923
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114658402
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105145714
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105186767
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114648075
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (CID 105186785) is 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is CCc1nnsc1C(NC)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is WSSFFPJQAPRGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-6-9-13(20-17-16-9)11(14-4)12-10(19-5)7-15-18(12)8(2)3/h7-8,11,14H,6H2,1-5H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 295.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105186785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).