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

C13H22N2S — CID 115887221

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
SMILESCCCCCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C13H22N2S/c1-2-3-4-5-9-14-10-13-15-11-7-6-8-12(11)16-13/h14H,2-10H2,1H3
InChIKeyFZSWHAAKUIMUGX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.30
Rot. Bonds7

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine (PubChem CID 115887221) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
PubChem CID115887221
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
SMILESCCCCCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C13H22N2S/c1-2-3-4-5-9-14-10-13-15-11-7-6-8-12(11)16-13/h14H,2-10H2,1H3
InChIKeyFZSWHAAKUIMUGX-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-fluoropropan-1-amine
CID 115887949
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115567823
1-hexyl-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]guanidine
CID 111098993
N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine
CID 62544347
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)methanesulfonamide
CID 165441927
N-butyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388540
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115887690
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 62543027

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine (CID 115887221) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine is CCCCCCNCc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine?
The InChIKey is FZSWHAAKUIMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-3-4-5-9-14-10-13-15-11-7-6-8-12(11)16-13/h14H,2-10H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.30, 7 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)hexan-1-amine is sourced from PubChem (CID 115887221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).