1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine

C10H14N2S — CID 105179634

IUPAC1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1csc(C)n1
InChIInChI=1S/C10H14N2S/c1-3-4-5-6-9(11)10-7-13-8(2)12-10/h1,7,9H,4-6,11H2,2H3
InChIKeyYBYFDBAGBZJTNE-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.25
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine (PubChem CID 105179634) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
PubChem CID105179634
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1csc(C)n1
InChIInChI=1S/C10H14N2S/c1-3-4-5-6-9(11)10-7-13-8(2)12-10/h1,7,9H,4-6,11H2,2H3
InChIKeyYBYFDBAGBZJTNE-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.25
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

1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
3,3,3-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112693223
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-1-amine
CID 105179598
1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
CID 106755808
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine (CID 105179634) is 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine is C#CCCCC(N)c1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine?
The InChIKey is YBYFDBAGBZJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-4-5-6-9(11)10-7-13-8(2)12-10/h1,7,9H,4-6,11H2,2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine?
1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine has a molecular weight of 194.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)hex-5-yn-1-amine is sourced from PubChem (CID 105179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).