N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

C15H22N4OS — CID 105175460

IUPACN-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1cncc(OCC)c1
InChIInChI=1S/C15H22N4OS/c1-4-7-13-15(21-19-18-13)14(17-5-2)11-8-12(20-6-3)10-16-9-11/h8-10,14,17H,4-7H2,1-3H3
InChIKeyIPJPERCRTXXMQS-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.98
Rot. Bonds8

About N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105175460) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105175460
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1cncc(OCC)c1
InChIInChI=1S/C15H22N4OS/c1-4-7-13-15(21-19-18-13)14(17-5-2)11-8-12(20-6-3)10-16-9-11/h8-10,14,17H,4-7H2,1-3H3
InChIKeyIPJPERCRTXXMQS-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105175454
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine
CID 116717966
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
[(4-methylthiadiazol-5-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330043
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 105175460) is N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)c1cncc(OCC)c1.
What is the InChIKey of N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is IPJPERCRTXXMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-7-13-15(21-19-18-13)14(17-5-2)11-8-12(20-6-3)10-16-9-11/h8-10,14,17H,4-7H2,1-3H3.
What are the key properties of N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 306.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105175460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).