1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C13H21N5OS — CID 105186690

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(NC)c1snnc1C(C)C
InChIInChI=1S/C13H21N5OS/c1-6-18-12(9(19-5)7-15-18)11(14-4)13-10(8(2)3)16-17-20-13/h7-8,11,14H,6H2,1-5H3
InChIKeyUJTGVOPSINSBLN-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.20
Rot. Bonds6

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105186690) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105186690
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(NC)c1snnc1C(C)C
InChIInChI=1S/C13H21N5OS/c1-6-18-12(9(19-5)7-15-18)11(14-4)13-10(8(2)3)16-17-20-13/h7-8,11,14H,6H2,1-5H3
InChIKeyUJTGVOPSINSBLN-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-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186785
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105186619
1-(1,5-dimethylpyrazol-4-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105186620
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105133140
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105179103
1-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047783
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105161863
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
CID 114659908
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(2-bromo-5-methylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047758
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105186690) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CCn1ncc(OC)c1C(NC)c1snnc1C(C)C.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is UJTGVOPSINSBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-6-18-12(9(19-5)7-15-18)11(14-4)13-10(8(2)3)16-17-20-13/h7-8,11,14H,6H2,1-5H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine 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-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105186690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).