N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine

C13H18N2S — CID 115887690

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1nc2c(s1)CCC2
InChIInChI=1S/C13H18N2S/c1-3-6-10(4-2)14-9-13-15-11-7-5-8-12(11)16-13/h1,10,14H,4-9H2,2H3
InChIKeyHOBPSGDBPYABLX-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.52
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine (PubChem CID 115887690) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine
PubChem CID115887690
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1nc2c(s1)CCC2
InChIInChI=1S/C13H18N2S/c1-3-6-10(4-2)14-9-13-15-11-7-5-8-12(11)16-13/h1,10,14H,4-9H2,2H3
InChIKeyHOBPSGDBPYABLX-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)methanesulfonamide
CID 165441927
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
CID 115887221
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
CID 62646241
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine
CID 115888067
4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 94282044
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-fluoropropan-1-amine
CID 115887949
methyl 4-[(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)methyl]oxane-4-carboxylate
CID 86788961
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine (CID 115887690) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine is C#CCC(CC)NCc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine?
The InChIKey is HOBPSGDBPYABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-6-10(4-2)14-9-13-15-11-7-5-8-12(11)16-13/h1,10,14H,4-9H2,2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine has a molecular weight of 234.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine is sourced from PubChem (CID 115887690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).