N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H19N3S — CID 107504208

IUPACN-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ncc(CNC(C)C)s2)cc(C)n1
InChIInChI=1S/C14H19N3S/c1-9(2)15-7-13-8-16-14(18-13)12-5-10(3)17-11(4)6-12/h5-6,8-9,15H,7H2,1-4H3
InChIKeyUWDCHECPEVEGGG-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.32
Rot. Bonds4

About N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 107504208) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID107504208
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ncc(CNC(C)C)s2)cc(C)n1
InChIInChI=1S/C14H19N3S/c1-9(2)15-7-13-8-16-14(18-13)12-5-10(3)17-11(4)6-12/h5-6,8-9,15H,7H2,1-4H3
InChIKeyUWDCHECPEVEGGG-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 107504208) is N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1cc(-c2ncc(CNC(C)C)s2)cc(C)n1.
What is the InChIKey of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is UWDCHECPEVEGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)15-7-13-8-16-14(18-13)12-5-10(3)17-11(4)6-12/h5-6,8-9,15H,7H2,1-4H3.
What are the key properties of N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 107504208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).