4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

C13H17N3OS — CID 75388379

IUPAC4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCC(C)(C)Oc1ccncc1NCc1cscn1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)17-12-4-5-14-7-11(12)15-6-10-8-18-9-16-10/h4-5,7-9,15H,6H2,1-3H3
InChIKeyBDAJUOGVBDCUQG-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.33
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 75388379) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
PubChem CID75388379
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCC(C)(C)Oc1ccncc1NCc1cscn1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)17-12-4-5-14-7-11(12)15-6-10-8-18-9-16-10/h4-5,7-9,15H,6H2,1-3H3
InChIKeyBDAJUOGVBDCUQG-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (CID 75388379) is 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is CC(C)(C)Oc1ccncc1NCc1cscn1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is BDAJUOGVBDCUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)17-12-4-5-14-7-11(12)15-6-10-8-18-9-16-10/h4-5,7-9,15H,6H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 263.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 75388379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).