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

C10H14N2S — CID 115732795

IUPACN-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCc1cncs1
InChIInChI=1S/C10H14N2S/c1-2-3-4-5-6-11-7-10-8-12-9-13-10/h1,8-9,11H,3-7H2
InChIKeyVFKKRZRZYZXIBW-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.04
Rot. Bonds6

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

N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine (PubChem CID 115732795) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
PubChem CID115732795
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCc1cncs1
InChIInChI=1S/C10H14N2S/c1-2-3-4-5-6-11-7-10-8-12-9-13-10/h1,8-9,11H,3-7H2
InChIKeyVFKKRZRZYZXIBW-UHFFFAOYSA-N
XLogP2.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694172
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
tert-butyl N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 115732318
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]hex-5-yn-1-amine
CID 106211610
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 115732705
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine
CID 115694154

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine (CID 115732795) is N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine is C#CCCCCNCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine?
The InChIKey is VFKKRZRZYZXIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-3-4-5-6-11-7-10-8-12-9-13-10/h1,8-9,11H,3-7H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine?
N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine has a molecular weight of 194.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine is sourced from PubChem (CID 115732795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).