N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine

C10H14N2S — CID 115695621

IUPACN-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CC=CC2)sc1C
InChIInChI=1S/C10H14N2S/c1-7-8(2)13-10(11-7)12-9-5-3-4-6-9/h3-4,9H,5-6H2,1-2H3,(H,11,12)
InChIKeyNXEFUAALAPBWPL-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.89
Rot. Bonds2

About N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine

N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 115695621) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID115695621
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CC=CC2)sc1C
InChIInChI=1S/C10H14N2S/c1-7-8(2)13-10(11-7)12-9-5-3-4-6-9/h3-4,9H,5-6H2,1-2H3,(H,11,12)
InChIKeyNXEFUAALAPBWPL-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine (CID 115695621) is N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NC2CC=CC2)sc1C.
What is the InChIKey of N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NXEFUAALAPBWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-8(2)13-10(11-7)12-9-5-3-4-6-9/h3-4,9H,5-6H2,1-2H3,(H,11,12).
What are the key properties of N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine?
N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 194.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115695621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).