2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide

C18H23N3O2S — CID 75520836

IUPAC2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1NC(=O)N1CCCC1C(C)(C)O
InChIInChI=1S/C18H23N3O2S/c1-12-15(24-16(19-12)13-8-5-4-6-9-13)20-17(22)21-11-7-10-14(21)18(2,3)23/h4-6,8-9,14,23H,7,10-11H2,1-3H3,(H,20,22)
InChIKeyDJXYPDBYYHQABF-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide

2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 75520836) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID75520836
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1NC(=O)N1CCCC1C(C)(C)O
InChIInChI=1S/C18H23N3O2S/c1-12-15(24-16(19-12)13-8-5-4-6-9-13)20-17(22)21-11-7-10-14(21)18(2,3)23/h4-6,8-9,14,23H,7,10-11H2,1-3H3,(H,20,22)
InChIKeyDJXYPDBYYHQABF-UHFFFAOYSA-N
XLogP3.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide (CID 75520836) is 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide is Cc1nc(-c2ccccc2)sc1NC(=O)N1CCCC1C(C)(C)O.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is DJXYPDBYYHQABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-15(24-16(19-12)13-8-5-4-6-9-13)20-17(22)21-11-7-10-14(21)18(2,3)23/h4-6,8-9,14,23H,7,10-11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide?
2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).