(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

C13H18N4OS — CID 105175454

IUPAC(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCCOc1cncc(C(N)c2snnc2C(C)C)c1
InChIInChI=1S/C13H18N4OS/c1-4-18-10-5-9(6-15-7-10)11(14)13-12(8(2)3)16-17-19-13/h5-8,11H,4,14H2,1-3H3
InChIKeyGCVKZEJTFKTZTN-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.50
Rot. Bonds5

About (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine

(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105175454) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105175454
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCCOc1cncc(C(N)c2snnc2C(C)C)c1
InChIInChI=1S/C13H18N4OS/c1-4-18-10-5-9(6-15-7-10)11(14)13-12(8(2)3)16-17-19-13/h5-8,11H,4,14H2,1-3H3
InChIKeyGCVKZEJTFKTZTN-UHFFFAOYSA-N
XLogP2.50
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105175526
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105175460
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145823
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105175454) is (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is CCOc1cncc(C(N)c2snnc2C(C)C)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is GCVKZEJTFKTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-18-10-5-9(6-15-7-10)11(14)13-12(8(2)3)16-17-19-13/h5-8,11H,4,14H2,1-3H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine?
(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105175454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).