N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine

C14H16N2S2 — CID 61336052

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine
SMILESc1cc(C(NC2CC2)c2nc3c(s2)CCC3)cs1
InChIInChI=1S/C14H16N2S2/c1-2-11-12(3-1)18-14(16-11)13(15-10-4-5-10)9-6-7-17-8-9/h6-8,10,13,15H,1-5H2
InChIKeyDLXOGJXQEALCJA-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.53
Rot. Bonds4

About N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine (PubChem CID 61336052) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine
PubChem CID61336052
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine
SMILESc1cc(C(NC2CC2)c2nc3c(s2)CCC3)cs1
InChIInChI=1S/C14H16N2S2/c1-2-11-12(3-1)18-14(16-11)13(15-10-4-5-10)9-6-7-17-8-9/h6-8,10,13,15H,1-5H2
InChIKeyDLXOGJXQEALCJA-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine (CID 61336052) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine is c1cc(C(NC2CC2)c2nc3c(s2)CCC3)cs1.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine?
The InChIKey is DLXOGJXQEALCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-2-11-12(3-1)18-14(16-11)13(15-10-4-5-10)9-6-7-17-8-9/h6-8,10,13,15H,1-5H2.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine has a molecular weight of 276.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(thiophen-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61336052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).