N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H25N3S — CID 62755147

IUPACN-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCCC2C2CCCC2)sc1CNC1CC1
InChIInChI=1S/C16H25N3S/c1-2-5-12(4-1)15-6-3-9-19(15)16-18-11-14(20-16)10-17-13-7-8-13/h11-13,15,17H,1-10H2
InChIKeyOCHYHZGMYSFUMK-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.55
Rot. Bonds5

About N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 62755147) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID62755147
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCCC2C2CCCC2)sc1CNC1CC1
InChIInChI=1S/C16H25N3S/c1-2-5-12(4-1)15-6-3-9-19(15)16-18-11-14(20-16)10-17-13-7-8-13/h11-13,15,17H,1-10H2
InChIKeyOCHYHZGMYSFUMK-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 62755147) is N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is c1nc(N2CCCC2C2CCCC2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is OCHYHZGMYSFUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-2-5-12(4-1)15-6-3-9-19(15)16-18-11-14(20-16)10-17-13-7-8-13/h11-13,15,17H,1-10H2.
What are the key properties of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 291.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62755147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).