N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

C12H19N5OS — CID 105186864

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cnsn1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H19N5OS/c1-5-13-11(9-6-15-19-16-9)12-10(18-4)7-14-17(12)8(2)3/h6-8,11,13H,5H2,1-4H3
InChIKeyBUJUMTQOEROMSB-UHFFFAOYSA-N
MW281.39 g/mol
LogP2.02
Rot. Bonds6

About N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105186864) has the molecular formula C12H19N5OS and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105186864
Molecular FormulaC12H19N5OS
Molecular Weight281.39 g/mol
Exact Mass281.13
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cnsn1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H19N5OS/c1-5-13-11(9-6-15-19-16-9)12-10(18-4)7-14-17(12)8(2)3/h6-8,11,13H,5H2,1-4H3
InChIKeyBUJUMTQOEROMSB-UHFFFAOYSA-N
XLogP2.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 114654538
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651554
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
N-[(5-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652685
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105048344
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105190037
N-[(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105048112
[(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339368
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105187073
N-[(3-fluoro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114659387

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105186864) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCNC(c1cnsn1)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is BUJUMTQOEROMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-5-13-11(9-6-15-19-16-9)12-10(18-4)7-14-17(12)8(2)3/h6-8,11,13H,5H2,1-4H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 281.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105186864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).