5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine

C13H18N4OS — CID 71914448

IUPAC5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(NCc2cscn2)nc1
InChIInChI=1S/C13H18N4OS/c1-17(5-6-18-2)12-3-4-13(15-8-12)14-7-11-9-19-10-16-11/h3-4,8-10H,5-7H2,1-2H3,(H,14,15)
InChIKeyXJZIPXNAMHXABA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.23
Rot. Bonds7

About 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine

5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine (PubChem CID 71914448) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
PubChem CID71914448
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(NCc2cscn2)nc1
InChIInChI=1S/C13H18N4OS/c1-17(5-6-18-2)12-3-4-13(15-8-12)14-7-11-9-19-10-16-11/h3-4,8-10H,5-7H2,1-2H3,(H,14,15)
InChIKeyXJZIPXNAMHXABA-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
Thiazolo(5,4-b)pyridin-2-amine, N-ethyl-
CID 2747540
6-((4,5-dimethylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487435
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
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N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 772885
N-Phenyl-4-(2-pyridinyl)-2-thiazolamine
CID 873000
6-methyl-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972317
2',4'-dimethyl-N-(pyridin-3-yl)-4,5'-bi-1,3-thiazol-2-amine
CID 973047
4'-Methyl-N2-(pyridin-2-yl)-[4,5'-bithiazole]-2,2'-diamine
CID 2867228
2-[5-(Diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
CID 20647089
4-Pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
CID 20647090
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
CID 20647122

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine (CID 71914448) is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine is COCCN(C)c1ccc(NCc2cscn2)nc1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
The InChIKey is XJZIPXNAMHXABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-17(5-6-18-2)12-3-4-13(15-8-12)14-7-11-9-19-10-16-11/h3-4,8-10H,5-7H2,1-2H3,(H,14,15).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 71914448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).