[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C15H21N3S — CID 114362110

IUPAC[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1cnccc1-c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C15H21N3S/c1-4-11-9-17-6-5-12(11)15-18-13(7-10(2)3)14(8-16)19-15/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyPLCHGNHEJLQIJJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.42
Rot. Bonds5

About [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362110) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362110
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1cnccc1-c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C15H21N3S/c1-4-11-9-17-6-5-12(11)15-18-13(7-10(2)3)14(8-16)19-15/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyPLCHGNHEJLQIJJ-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362110) is [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCc1cnccc1-c1nc(CC(C)C)c(CN)s1.
What is the InChIKey of [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PLCHGNHEJLQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-11-9-17-6-5-12(11)15-18-13(7-10(2)3)14(8-16)19-15/h5-6,9-10H,4,7-8,16H2,1-3H3.
What are the key properties of [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).