N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine

C15H17N3S — CID 115654801

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H17N3S/c1-3-7-12(4-2)17-10-13-11-19-15(18-13)14-8-5-6-9-16-14/h1,5-6,8-9,11-12,17H,4,7,10H2,2H3
InChIKeyZHZYEYRWJBVGGD-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.10
Rot. Bonds6

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine (PubChem CID 115654801) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine
PubChem CID115654801
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H17N3S/c1-3-7-12(4-2)17-10-13-11-19-15(18-13)14-8-5-6-9-16-14/h1,5-6,8-9,11-12,17H,4,7,10H2,2H3
InChIKeyZHZYEYRWJBVGGD-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine (CID 115654801) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine is C#CCC(CC)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine?
The InChIKey is ZHZYEYRWJBVGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-7-12(4-2)17-10-13-11-19-15(18-13)14-8-5-6-9-16-14/h1,5-6,8-9,11-12,17H,4,7,10H2,2H3.
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine has a molecular weight of 271.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine is sourced from PubChem (CID 115654801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).