N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C13H17N3S — CID 55222447

IUPACN-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1cccc(-c2nc(CNC(C)C)cs2)n1
InChIInChI=1S/C13H17N3S/c1-9(2)14-7-11-8-17-13(16-11)12-6-4-5-10(3)15-12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyBUKCGEJVRAQKEG-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.01
Rot. Bonds4

About N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 55222447) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID55222447
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1cccc(-c2nc(CNC(C)C)cs2)n1
InChIInChI=1S/C13H17N3S/c1-9(2)14-7-11-8-17-13(16-11)12-6-4-5-10(3)15-12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyBUKCGEJVRAQKEG-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 55222447) is N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1cccc(-c2nc(CNC(C)C)cs2)n1.
What is the InChIKey of N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is BUKCGEJVRAQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)14-7-11-8-17-13(16-11)12-6-4-5-10(3)15-12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).