N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine

C10H14N2S — CID 115654848

IUPACN-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1nccs1
InChIInChI=1S/C10H14N2S/c1-3-5-9(4-2)12-8-10-11-6-7-13-10/h1,6-7,9,12H,4-5,8H2,2H3
InChIKeyIOXKSZSNXAIKNO-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.03
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine

N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine (PubChem CID 115654848) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
PubChem CID115654848
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1nccs1
InChIInChI=1S/C10H14N2S/c1-3-5-9(4-2)12-8-10-11-6-7-13-10/h1,6-7,9,12H,4-5,8H2,2H3
InChIKeyIOXKSZSNXAIKNO-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
N-(1,3-thiazol-2-ylmethyl)pent-4-yn-2-amine
CID 115660270
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 115657878
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine
CID 115654801
N-[(6-chloro-3-pyridinyl)methyl]hex-5-yn-3-amine
CID 115683729
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 115682761
4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 61285626
N-[(5-methylfuran-2-yl)methyl]hex-5-yn-3-amine
CID 115654930

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine (CID 115654848) is N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine is C#CCC(CC)NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine?
The InChIKey is IOXKSZSNXAIKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-5-9(4-2)12-8-10-11-6-7-13-10/h1,6-7,9,12H,4-5,8H2,2H3.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine?
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine has a molecular weight of 194.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine is sourced from PubChem (CID 115654848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).