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

C17H21N3S — CID 62753549

IUPACN-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1ccc(C2CCN(c3ncc(CNC4CC4)s3)C2)cc1
InChIInChI=1S/C17H21N3S/c1-2-4-13(5-3-1)14-8-9-20(12-14)17-19-11-16(21-17)10-18-15-6-7-15/h1-5,11,14-15,18H,6-10,12H2
InChIKeyDVPBCQHYIDONES-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.39
Rot. Bonds5

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

N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 62753549) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID62753549
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1ccc(C2CCN(c3ncc(CNC4CC4)s3)C2)cc1
InChIInChI=1S/C17H21N3S/c1-2-4-13(5-3-1)14-8-9-20(12-14)17-19-11-16(21-17)10-18-15-6-7-15/h1-5,11,14-15,18H,6-10,12H2
InChIKeyDVPBCQHYIDONES-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 62753549) is N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is c1ccc(C2CCN(c3ncc(CNC4CC4)s3)C2)cc1.
What is the InChIKey of N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DVPBCQHYIDONES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-4-13(5-3-1)14-8-9-20(12-14)17-19-11-16(21-17)10-18-15-6-7-15/h1-5,11,14-15,18H,6-10,12H2.
What are the key properties of N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 299.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62753549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).