[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C17H21N3S — CID 63915599

IUPAC[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCC(c3ccccc3)C2)nc1C1CC1
InChIInChI=1S/C17H21N3S/c18-10-15-16(13-6-7-13)19-17(21-15)20-9-8-14(11-20)12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2
InChIKeyYTQJPEHLVHXSBQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.47
Rot. Bonds4

About [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63915599) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63915599
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCC(c3ccccc3)C2)nc1C1CC1
InChIInChI=1S/C17H21N3S/c18-10-15-16(13-6-7-13)19-17(21-15)20-9-8-14(11-20)12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2
InChIKeyYTQJPEHLVHXSBQ-UHFFFAOYSA-N
XLogP3.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63915599) is [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is NCc1sc(N2CCC(c3ccccc3)C2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YTQJPEHLVHXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c18-10-15-16(13-6-7-13)19-17(21-15)20-9-8-14(11-20)12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2.
What are the key properties of [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 299.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).