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

C16H16Cl2N2S — CID 61334295

IUPACN-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
SMILESClc1ccc(C(NC2CC2)c2nc3c(s2)CCC3)cc1Cl
InChIInChI=1S/C16H16Cl2N2S/c17-11-7-4-9(8-12(11)18)15(19-10-5-6-10)16-20-13-2-1-3-14(13)21-16/h4,7-8,10,15,19H,1-3,5-6H2
InChIKeyPRHGYZCAPQTMRH-UHFFFAOYSA-N
MW339.29 g/mol
LogP4.78
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61334295) has the molecular formula C16H16Cl2N2S and a molecular weight of 339.29 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61334295
Molecular FormulaC16H16Cl2N2S
Molecular Weight339.29 g/mol
Exact Mass338.04
IUPAC NameN-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
SMILESClc1ccc(C(NC2CC2)c2nc3c(s2)CCC3)cc1Cl
InChIInChI=1S/C16H16Cl2N2S/c17-11-7-4-9(8-12(11)18)15(19-10-5-6-10)16-20-13-2-1-3-14(13)21-16/h4,7-8,10,15,19H,1-3,5-6H2
InChIKeyPRHGYZCAPQTMRH-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine (CID 61334295) is N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine is Clc1ccc(C(NC2CC2)c2nc3c(s2)CCC3)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is PRHGYZCAPQTMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2S/c17-11-7-4-9(8-12(11)18)15(19-10-5-6-10)16-20-13-2-1-3-14(13)21-16/h4,7-8,10,15,19H,1-3,5-6H2.
What are the key properties of N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 339.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61334295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).