N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine

C13H21N5S — CID 105104012

IUPACN-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2snnc2CC)cn1
InChIInChI=1S/C13H21N5S/c1-4-7-18-9-10(8-15-18)12(14-6-3)13-11(5-2)16-17-19-13/h8-9,12,14H,4-7H2,1-3H3
InChIKeyXOHIDSJQWBFCBM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.41
Rot. Bonds7

About N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine

N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 105104012) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID105104012
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2snnc2CC)cn1
InChIInChI=1S/C13H21N5S/c1-4-7-18-9-10(8-15-18)12(14-6-3)13-11(5-2)16-17-19-13/h8-9,12,14H,4-7H2,1-3H3
InChIKeyXOHIDSJQWBFCBM-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 105146355
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 82903321
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(1-propylpyrazol-4-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 115807097
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105189704
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807132
(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080937
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807394
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine (CID 105104012) is N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1cc(C(NCC)c2snnc2CC)cn1.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is XOHIDSJQWBFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-7-18-9-10(8-15-18)12(14-6-3)13-11(5-2)16-17-19-13/h8-9,12,14H,4-7H2,1-3H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105104012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).