2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

C12H15N3OS — CID 61373861

IUPAC2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cscn1
InChIInChI=1S/C12H15N3OS/c1-9(2)16-12-11(4-3-5-13-12)14-6-10-7-17-8-15-10/h3-5,7-9,14H,6H2,1-2H3
InChIKeyMVYZOUNDEYNFPU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.94
Rot. Bonds5

About 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 61373861) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
PubChem CID61373861
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cscn1
InChIInChI=1S/C12H15N3OS/c1-9(2)16-12-11(4-3-5-13-12)14-6-10-7-17-8-15-10/h3-5,7-9,14H,6H2,1-2H3
InChIKeyMVYZOUNDEYNFPU-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375574
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (CID 61373861) is 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is CC(C)Oc1ncccc1NCc1cscn1.
What is the InChIKey of 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is MVYZOUNDEYNFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(2)16-12-11(4-3-5-13-12)14-6-10-7-17-8-15-10/h3-5,7-9,14H,6H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 249.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 61373861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).