(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C18H17N3OS — CID 94773926

IUPAC(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C18H17N3OS/c22-18(21-11-5-9-15(21)14-8-4-10-19-14)16-12-20-17(23-16)13-6-2-1-3-7-13/h1-4,6-8,10,12,15,19H,5,9,11H2/t15-/m1/s1
InChIKeyQOXRPLCTLHECII-OAHLLOKOSA-N
MW323.42 g/mol
LogP4.12
Rot. Bonds3

About (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 94773926) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID94773926
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C18H17N3OS/c22-18(21-11-5-9-15(21)14-8-4-10-19-14)16-12-20-17(23-16)13-6-2-1-3-7-13/h1-4,6-8,10,12,15,19H,5,9,11H2/t15-/m1/s1
InChIKeyQOXRPLCTLHECII-OAHLLOKOSA-N
XLogP4.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 94773926) is (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1ccc[nH]1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QOXRPLCTLHECII-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(21-11-5-9-15(21)14-8-4-10-19-14)16-12-20-17(23-16)13-6-2-1-3-7-13/h1-4,6-8,10,12,15,19H,5,9,11H2/t15-/m1/s1.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 323.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 94773926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).