5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

C13H16N4S — CID 103361974

IUPAC5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCC1CCCN1c1snc(N)c1-c1ccncc1
InChIInChI=1S/C13H16N4S/c1-9-3-2-8-17(9)13-11(12(14)16-18-13)10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,14,16)
InChIKeyZUFOTXPYPQILKO-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.78
Rot. Bonds2

About 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (PubChem CID 103361974) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
PubChem CID103361974
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCC1CCCN1c1snc(N)c1-c1ccncc1
InChIInChI=1S/C13H16N4S/c1-9-3-2-8-17(9)13-11(12(14)16-18-13)10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,14,16)
InChIKeyZUFOTXPYPQILKO-UHFFFAOYSA-N
XLogP2.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (CID 103361974) is 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is CC1CCCN1c1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The InChIKey is ZUFOTXPYPQILKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-3-2-8-17(9)13-11(12(14)16-18-13)10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,14,16).
What are the key properties of 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine has a molecular weight of 260.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103361974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).