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

C9H14N2S — CID 46784916

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine
SMILESCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C9H14N2S/c1-2-10-6-9-11-7-4-3-5-8(7)12-9/h10H,2-6H2,1H3
InChIKeyBNIAMRLMFUCOSM-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.74
Rot. Bonds3

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine (PubChem CID 46784916) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine
PubChem CID46784916
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine
SMILESCCNCc1nc2c(s1)CCC2
InChIInChI=1S/C9H14N2S/c1-2-10-6-9-11-7-4-3-5-8(7)12-9/h10H,2-6H2,1H3
InChIKeyBNIAMRLMFUCOSM-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine (CID 46784916) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine is CCNCc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine?
The InChIKey is BNIAMRLMFUCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-10-6-9-11-7-4-3-5-8(7)12-9/h10H,2-6H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)ethanamine has a molecular weight of 182.29 g/mol, XLogP of 1.74, 3 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)ethanamine is sourced from PubChem (CID 46784916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).