(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide

C18H23N3OS — CID 169259958

IUPAC(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1C(N)=O
InChIInChI=1S/C18H23N3OS/c1-13-18(21-12-6-10-15(21)17(19)22)23-16(20-13)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyGNAQDEXZTFYQJA-HNNXBMFYSA-N
MW329.47 g/mol
LogP3.08
Rot. Bonds6

About (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide

(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 169259958) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID169259958
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1C(N)=O
InChIInChI=1S/C18H23N3OS/c1-13-18(21-12-6-10-15(21)17(19)22)23-16(20-13)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyGNAQDEXZTFYQJA-HNNXBMFYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide (CID 169259958) is (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide is Cc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is GNAQDEXZTFYQJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-18(21-12-6-10-15(21)17(19)22)23-16(20-13)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H2,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide?
(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 169259958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).